2-Propanone, 1-hydroxy-

Other names: 1-Hydroxy-2-propanone; 1-Hydroxypropan-2-one; Acetol;

Acetone alcohol; Acetylcarbinol; CH3C(O)CH2OH; Hydroxyacetone;
Hydroxypropan-2-one; Hydroxypropanone; Methanol, acetyl-;
hydroxyacetone (acetol).
InChI: InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
InChI Key: XLSMFKSTNGKWQX-UHFFFAOYSA-N
Formula: C3H6O2
SMILES: CC(=O)CO
Molecular Weight: 74.08
CAS: 116-09-6

Physical Properties

Property Value Unit Source

∆fG° -291.36 kJ/mol Joback Method

∆fH°gas -370.06 kJ/mol Joback Method

∆fusH° 9.21 kJ/mol Joback Method

∆vapH° 45.70 kJ/mol Joback Method

IE 10.00 ± 0.10 eV NIST Webbook

logPoct/wat -0.43 Crippen Method

Pc 5478.85 kPa Joback Method

Tboil 418.70 K NIST Webbook

Tc 589.06 K Joback Method

Tfus 234.32 K Joback Method

Vc 0.23 m3/kg-mol Joback Method

Temperature Dependent Properties

Property Value Unit Temperature (K) Source

Cp,gas 110.78 J/mol×K 414.09 Joback Method

η 0.00 Pa×s 414.09 Joback Method

 Property Value Unit Temperature (K) Source

∆vapH 42.00 ± 3.00 kJ/mol 326.0 NIST Webbook

Sources

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

NIST Webbook: http://webbook.nist.gov/cgi/inchi/InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
Crippen Method: http://pubs.acs.org/doi/abs/10.1021/ci990307l

Legend

Cp,gas: Ideal gas 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).
∆fusH°: Enthalpy of fusion at standard conditions (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).
Tboil: Normal Boiling Point Temperature (K).
Tc: Critical Temperature (K).
Tfus: Normal melting (fusion) point (K).
Vc: Critical Volume (m3/kg-mol).

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