2-Butanol

Other names: 1-Methyl propanol; 1-Methyl-1-propanol; 1-Methylpropyl

alcohol; 2-Butyl alcohol; 2-Hydroxybutane; Alcool butylique secondaire;
Butan-2-ol; Butane, 2-hydroxy-; Butanol secondaire; Butanol-2; Butylene
hydrate; CCS 301; DL-2-Butanol; DL-sec-Butanol; Ethyl methyl carbinol;
Methyl ethyl carbinol; NSC 25499; n-Butan-2-ol; s-Butanol; s-Butyl
alcohol; sec-Butanol; sec-Butyl Alcohol; sec-C4H9OH.
InChI: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChI Key: BTANRVKWQNVYAZ-UHFFFAOYSA-N
Formula: C4H10O
SMILES: CCC(C)O
Molecular Weight: 74.12
CAS: 78-92-2

Physical Properties

Property Value Unit Source

PAff 815.00 kJ/mol NIST Webbook

BasG 784.60 kJ/mol NIST Webbook

∆cH°liquid -2660.60 ± 0.54 kJ/mol NIST Webbook

∆cH°liquid -2660.60 ± 0.92 kJ/mol NIST Webbook

∆fG° -156.46 kJ/mol Joback Method

∆fH°gas -293.10 kJ/mol NIST Webbook

∆fH°gas -293.00 ± 1.50 kJ/mol NIST Webbook

∆fH°liquid -342.70 ± 0.59 kJ/mol NIST Webbook

∆fH°liquid -342.60 ± 0.92 kJ/mol NIST Webbook

∆fusH° 6.68 kJ/mol Joback Method

∆vapH° 49.81 kJ/mol NIST Webbook

∆vapH° 46.20 kJ/mol NIST Webbook

∆vapH° 49.79 ± 0.02 kJ/mol NIST Webbook

∆vapH° 49.74 ± 0.02 kJ/mol NIST Webbook

∆vapH° 49.70 ± 0.10 kJ/mol NIST Webbook

∆vapH° 49.66 ± 0.08 kJ/mol NIST Webbook

 Property Value Unit Source

∆vapH° 48.50 kJ/mol NIST Webbook

∆vapH° 49.45 kJ/mol NIST Webbook

∆vapH° 41.70 ± 0.20 kJ/mol NIST Webbook

IE 9.88 ± 0.03 eV NIST Webbook

IE 9.88 ± 0.03 eV NIST Webbook

IE 9.88 ± 0.07 eV NIST Webbook

IE 9.88 eV NIST Webbook

IE 9.88 eV NIST Webbook

IE 10.23 eV NIST Webbook

IE 10.35 ± 0.03 eV NIST Webbook

logPoct/wat 0.78 Crippen Method

Pc 4200.00 ± 20.00 kPa NIST Webbook

Pc 4210.00 kPa NIST Webbook

Pc 4203.00 ± 20.00 kPa NIST Webbook

Pc 4203.00 ± 20.00 kPa NIST Webbook

Pc 4179.00 kPa NIST Webbook

Pc 4194.00 kPa NIST Webbook

S°gas 355.37 J/mol×K NIST Webbook

S°liquid 213.10 J/mol×K NIST Webbook

S°liquid 214.70 J/mol×K NIST Webbook

Tboil 372.66 ± 0.10 K NIST Webbook

Tboil 372.59 ± 0.25 K NIST Webbook

Tboil 373.00 K NIST Webbook

Tboil 372.62 ± 0.20 K NIST Webbook

Tboil 372.75 ± 0.30 K NIST Webbook

Tboil 372.70 K NIST Webbook

Tboil 372.40 ± 0.25 K NIST Webbook

Tboil 372.66 ± 0.15 K NIST Webbook

 Property Value Unit Source

Tboil 372.70 ± 0.30 K NIST Webbook

Tboil 372.15 ± 0.40 K NIST Webbook

Tboil 372.90 ± 0.40 K NIST Webbook

Tboil 372.90 ± 0.30 K NIST Webbook

Tboil 372.90 ± 0.30 K NIST Webbook

Tboil 372.90 ± 0.30 K NIST Webbook

Tboil 372.70 ± 0.50 K NIST Webbook

Tboil 372.56 ± 0.12 K NIST Webbook

Tboil 372.65 K NIST Webbook

Tboil 372.85 ± 0.20 K NIST Webbook

Tboil 372.56 ± 0.10 K NIST Webbook

Tboil 371.40 ± 1.00 K NIST Webbook

Tboil 372.55 ± 0.30 K NIST Webbook

Tboil 371.65 ± 2.00 K NIST Webbook

Tboil 369.15 ± 3.00 K NIST Webbook

Tboil 372.15 ± 1.00 K NIST Webbook

Tboil 372.45 ± 0.30 K NIST Webbook

Tboil 372.55 ± 0.40 K NIST Webbook

Tboil 372.15 ± 1.00 K NIST Webbook

Tboil 371.40 ± 1.00 K NIST Webbook

Tboil 372.65 ± 0.50 K NIST Webbook

Tboil 372.65 ± 0.50 K NIST Webbook

Tboil 372.15 ± 0.50 K NIST Webbook

Tboil 372.65 ± 0.50 K NIST Webbook

Tboil 372.65 ± 0.50 K NIST Webbook

Tboil 372.65 ± 0.50 K NIST Webbook

Tboil 372.15 ± 1.00 K NIST Webbook

Tboil 372.70 ± 0.40 K NIST Webbook

 Property Value Unit Source

Tboil 371.15 ± 1.00 K NIST Webbook

Tboil 372.20 ± 1.50 K NIST Webbook

Tboil 372.40 ± 0.50 K NIST Webbook

Tboil 373.35 ± 1.00 K NIST Webbook

Tboil 371.45 ± 0.50 K NIST Webbook

Tboil 372.40 ± 0.50 K NIST Webbook

Tboil 372.15 ± 2.00 K NIST Webbook

Tboil 373.15 ± 2.00 K NIST Webbook

Tboil 372.68 ± 0.10 K NIST Webbook

Tboil 370.90 ± 2.00 K NIST Webbook

Tboil 372.90 ± 0.50 K NIST Webbook

Tboil 372.75 ± 0.30 K NIST Webbook

Tboil 372.65 ± 0.30 K NIST Webbook

Tboil 372.00 ± 0.50 K NIST Webbook

Tboil 372.65 ± 0.30 K NIST Webbook

Tboil 372.65 ± 0.50 K NIST Webbook

Tboil 372.65 ± 0.10 K NIST Webbook

Tboil 372.35 ± 1.00 K NIST Webbook

Tboil 371.15 ± 1.00 K NIST Webbook

Tboil 373.15 ± 2.00 K NIST Webbook

Tboil 372.67 ± 0.20 K NIST Webbook

Tboil 372.65 ± 0.15 K NIST Webbook

Tboil 372.55 ± 0.10 K NIST Webbook

Tboil 370.65 ± 3.00 K NIST Webbook

Tboil 372.65 ± 0.05 K NIST Webbook

Tboil 372.68 ± 0.05 K NIST Webbook

Tboil 373.15 ± 1.00 K NIST Webbook

Tboil 371.85 ± 0.60 K NIST Webbook

 Property Value Unit Source

Tboil 371.15 ± 1.00 K NIST Webbook

Tboil 372.65 ± 2.00 K NIST Webbook

Tboil 372.15 ± 2.00 K NIST Webbook

Tboil 372.15 ± 1.00 K NIST Webbook

Tboil 372.70 ± 0.50 K NIST Webbook

Tboil 372.40 ± 1.00 K NIST Webbook

Tboil 372.15 ± 1.00 K NIST Webbook

Tboil 371.65 ± 2.00 K NIST Webbook

Tc 536.20 ± 0.30 K NIST Webbook

Tc 536.60 K NIST Webbook

Tc 536.10 ± 0.60 K NIST Webbook

Tc 536.10 ± 0.60 K NIST Webbook

Tc 536.18 K NIST Webbook

Tc 536.00 K NIST Webbook

Tc 535.98 K NIST Webbook

Tc 538.30 K NIST Webbook

Tfus 158.45 K NIST Webbook

Ttriple 184.73 ± 0.10 K NIST Webbook

Ttriple 184.70 ± 0.02 K NIST Webbook

Vc 0.27 m3/kg-mol NIST Webbook

Temperature Dependent Properties

Property Value Unit Temperature (K) Source

Cp,gas 131.71 ± 0.40 J/mol×K 365.15 NIST Webbook

Cp,gas 137.87 ± 0.67 J/mol×K 380.95 NIST Webbook

Cp,gas 136.52 ± 0.41 J/mol×K 383.15 NIST Webbook

Cp,gas 139.10 ± 0.67 J/mol×K 386.25 NIST Webbook

 Property Value Unit Temperature (K) Source

Cp,gas 140.85 ± 0.67 J/mol×K 393.75 NIST Webbook

Cp,gas 141.46 ± 0.42 J/mol×K 401.15 NIST Webbook

Cp,gas 143.50 ± 0.67 J/mol×K 405.15 NIST Webbook

Cp,gas 143.74 ± 0.67 J/mol×K 406.15 NIST Webbook

Cp,gas 146.32 ± 0.67 J/mol×K 417.25 NIST Webbook

Cp,gas 146.23 ± 0.44 J/mol×K 419.15 NIST Webbook

Cp,gas 150.96 ± 0.45 J/mol×K 437.15 NIST Webbook

Cp,gas 151.79 ± 0.67 J/mol×K 440.75 NIST Webbook

Cp,gas 155.64 ± 0.47 J/mol×K 455.15 NIST Webbook

Cp,gas 158.81 ± 0.67 J/mol×K 470.85 NIST Webbook

Cp,gas 169.31 ± 0.67 J/mol×K 515.95 NIST Webbook

Cp,gas 179.65 ± 0.67 J/mol×K 560.35 NIST Webbook

Cp,gas 184.89 ± 0.67 J/mol×K 582.85 NIST Webbook

Cp,liquid 184.90 J/mol×K 281.7 NIST Webbook

Cp,liquid 199.20 J/mol×K 298.0 NIST Webbook

Cp,liquid 197.10 J/mol×K 298.15 NIST Webbook

Cp,liquid 198.03 J/mol×K 298.15 NIST Webbook

Cp,liquid 196.67 J/mol×K 298.15 NIST Webbook

Cp,liquid 197.40 J/mol×K 298.15 NIST Webbook

Cp,liquid 196.80 J/mol×K 298.15 NIST Webbook

η 0.00 Pa×s 382.66 Joback Method

∆fusH 6.00 kJ/mol 177.38 NIST Webbook

∆fusH 5.97 kJ/mol 184.7 NIST Webbook

∆fusH 5.97 kJ/mol 184.7 NIST Webbook

∆fusH 5.97 kJ/mol 184.7 NIST Webbook

∆vapH 57.50 kJ/mol 256.5 NIST Webbook

∆vapH 50.20 kJ/mol 297.0 NIST Webbook

∆vapH 53.20 kJ/mol 336.5 NIST Webbook

 Property Value Unit Temperature (K) Source

∆vapH 47.70 kJ/mol 339.5 NIST Webbook

∆vapH 47.80 kJ/mol 340.0 NIST Webbook

∆vapH 45.30 ± 0.10 kJ/mol 340.0 NIST Webbook

∆vapH 48.80 kJ/mol 343.0 NIST Webbook

∆vapH 44.10 kJ/mol 345.5 NIST Webbook

∆vapH 48.10 kJ/mol 345.5 NIST Webbook

∆vapH 46.30 kJ/mol 348.0 NIST Webbook

∆vapH 46.20 kJ/mol 349.5 NIST Webbook

∆vapH 49.30 kJ/mol 353.0 NIST Webbook

∆vapH 43.30 ± 0.10 kJ/mol 355.0 NIST Webbook

∆vapH 44.70 kJ/mol 359.5 NIST Webbook

∆vapH 44.10 kJ/mol 363.0 NIST Webbook

∆vapH 41.90 ± 0.10 kJ/mol 365.0 NIST Webbook

∆vapH 43.20 kJ/mol 369.5 NIST Webbook

∆vapH 43.20 kJ/mol 370.0 NIST Webbook

∆vapH 40.80 ± 0.10 kJ/mol 372.0 NIST Webbook

∆vapH 40.75 kJ/mol 372.7 NIST Webbook

∆vapH 42.00 kJ/mol 386.0 NIST Webbook

∆vapH 39.60 kJ/mol 440.0 NIST Webbook

∆vapH 47.90 kJ/mol 448.0 NIST Webbook

∆vapH 35.00 kJ/mol 506.0 NIST Webbook

∆fusS 33.83 J/mol×K 177.38 NIST Webbook

∆fusS 32.32 J/mol×K 184.7 NIST Webbook

Sources

Joback Method: https://en.wikipedia.org/wiki/Joback_method

NIST Webbook: http://webbook.nist.gov/cgi/inchi/InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
Crippen Method: http://pubs.acs.org/doi/abs/10.1021/ci990307l
Legend

PAff: Proton affinity (kJ/mol).

BasG: Gas basicity (kJ/mol).
∆cH°liquid: Standard liquid enthalpy of combustion (kJ/mol).
Cp,gas: Ideal gas heat capacity (J/mol×K).
Cp,liquid: Liquid phase heat capacity (J/mol×K).
η: Dynamic viscosity (Pa×s).
∆fG°: Standard Gibbs free energy of formation (kJ/mol).
∆fH°gas: Enthalpy of formation at standard conditions (kJ/mol).
∆fH°liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
∆fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
∆fusH: Enthalpy of fusion at a given temperature (kJ/mol).
∆vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
∆vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
IE: Ionization energy (eV).
logPoct/wat: Octanol/Water partition coefficient .
Pc: Critical Pressure (kPa).
∆fusS: Entropy of fusion at a given temperature (J/mol×K).
S°gas: Molar entropy at standard conditions (J/mol×K).
S°liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
Tboil: Normal Boiling Point Temperature (K).
Tc: Critical Temperature (K).
Tfus: Normal melting (fusion) point (K).
Ttriple: Triple Point Temperature (K).
Vc: Critical Volume (m3/kg-mol).

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