- InChI
- InChI=1S/C31H62O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-31(32)29-27-25-23-21-12-10-8-6-4-2/h3-30H2,1-2H3
- InChI Key
- NMZKKVFRTDBHQF-UHFFFAOYSA-N
- Formula
- C31H62O
- SMILES
-
CCCCCCCCCCCCCCCCCCCC(=O)CCCCCC
CCCCC - Molecular Weight1
- 450.84
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.2937 | Relay (1.0) Calculated Property | |
| ΔfG° | 81.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 150.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.518 | Crippen Calculated Property | |
| McVol | 449.220 | ml/mol | McGowan Calculated Property |
| Pc | 585.99 | kPa | Joback Calculated Property |
| Tboil | 658.08 | K | Relay (1.0) Calculated Property |
| Tc | 850.90 | K | Relay (1.0) Calculated Property |
| Tfus | 353.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.762 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1581.38; 1720.95] | J/mol×K | [962.55; 1197.11] | 
|
| Cp,gas | 1581.38 | J/mol×K | 962.55 | Joback Calculated Property |
| Cp,gas | 1608.78 | J/mol×K | 1001.64 | Joback Calculated Property |
| Cp,gas | 1634.36 | J/mol×K | 1040.74 | Joback Calculated Property |
| Cp,gas | 1658.24 | J/mol×K | 1079.83 | Joback Calculated Property |
| Cp,gas | 1680.55 | J/mol×K | 1118.92 | Joback Calculated Property |
| Cp,gas | 1701.41 | J/mol×K | 1158.02 | Joback Calculated Property |
| Cp,gas | 1720.95 | J/mol×K | 1197.11 | Joback Calculated Property |
| η | [0.0000196; 0.0006463] | Pa×s | [489.06; 962.55] |
|
| η | 0.0006463 | Pa×s | 489.06 | Joback Calculated Property |
| η | 0.0002408 | Pa×s | 567.98 | Joback Calculated Property |
| η | 0.0001141 | Pa×s | 646.89 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 725.80 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 804.72 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 883.63 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 962.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 12-Hentriacontanone.
Sources
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