- InChI
- InChI=1S/C31H62O/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28-31(2)29-26-23-20-17-15-18-21-24-27-30-32/h30-31H,3-29H2,1-2H3
- InChI Key
- RNMRAWWQHFHBND-UHFFFAOYSA-N
- Formula
- C31H62O
- SMILES
-
CCCCCCCCCCCCCCCCCCC(C)CCCCCCCC
CCC=O - Molecular Weight1
- 450.82
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 108.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 74.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.93 | kJ/mol | Joback Calculated Property |
| log10WS | -11.84 | Crippen Calculated Property | |
| logPoct/wat | 11.374 | Crippen Calculated Property | |
| McVol | 449.220 | ml/mol | McGowan Calculated Property |
| Pc | 591.42 | kPa | Joback Calculated Property |
| Inp | 3261.00 | NIST | |
| Tboil | 956.90 | K | Joback Calculated Property |
| Tc | 1189.23 | K | Joback Calculated Property |
| Tfus | 466.13 | K | Joback Calculated Property |
| Vc | 1.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1579.66; 1719.22] | J/mol×K | [956.90; 1189.23] | 
|
| Cp,gas | 1579.66 | J/mol×K | 956.90 | Joback Calculated Property |
| Cp,gas | 1606.99 | J/mol×K | 995.62 | Joback Calculated Property |
| Cp,gas | 1632.53 | J/mol×K | 1034.34 | Joback Calculated Property |
| Cp,gas | 1656.40 | J/mol×K | 1073.06 | Joback Calculated Property |
| Cp,gas | 1678.72 | J/mol×K | 1111.78 | Joback Calculated Property |
| Cp,gas | 1699.62 | J/mol×K | 1150.51 | Joback Calculated Property |
| Cp,gas | 1719.22 | J/mol×K | 1189.23 | Joback Calculated Property |
| η | [0.0000202; 0.0009070] | Pa×s | [466.13; 956.90] |
|
| η | 0.0009070 | Pa×s | 466.13 | Joback Calculated Property |
| η | 0.0002995 | Pa×s | 547.92 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 629.72 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 711.51 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 793.31 | Joback Calculated Property |
| η | 0.0000283 | Pa×s | 875.11 | Joback Calculated Property |
| η | 0.0000202 | Pa×s | 956.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Triacontanal, 12-methyl.
Sources
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