- InChI
- InChI=1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h3-29H2,1-2H3
- InChI Key
- MWSXIWIELAIOBE-UHFFFAOYSA-N
- Formula
- C30H60O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC
CCCCC - Molecular Weight1
- 452.80
- CAS
- 5979-98-6
- 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° | -32.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -907.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 76.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.53 | kJ/mol | Joback Calculated Property |
| log10WS | -11.24 | Crippen Calculated Property | |
| logPoct/wat | 10.712 | Crippen Calculated Property | |
| McVol | 441.000 | ml/mol | McGowan Calculated Property |
| Pc | 609.06 | kPa | Joback Calculated Property |
| Inp | 3160.05 | NIST | |
| Tboil | 962.09 | K | Joback Calculated Property |
| Tc | 1195.84 | K | Joback Calculated Property |
| Tfus | 500.02 | K | Joback Calculated Property |
| Vc | 1.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1548.95; 1680.03] | J/mol×K | [962.09; 1195.84] | 
|
| Cp,gas | 1548.95 | J/mol×K | 962.09 | Joback Calculated Property |
| Cp,gas | 1575.26 | J/mol×K | 1001.05 | Joback Calculated Property |
| Cp,gas | 1599.65 | J/mol×K | 1040.01 | Joback Calculated Property |
| Cp,gas | 1622.22 | J/mol×K | 1078.97 | Joback Calculated Property |
| Cp,gas | 1643.07 | J/mol×K | 1117.92 | Joback Calculated Property |
| Cp,gas | 1662.31 | J/mol×K | 1156.88 | Joback Calculated Property |
| Cp,gas | 1680.03 | J/mol×K | 1195.84 | Joback Calculated Property |
| η | [0.0000168; 0.0004872] | Pa×s | [500.02; 962.09] |
|
| η | 0.0004872 | Pa×s | 500.02 | Joback Calculated Property |
| η | 0.0001913 | Pa×s | 577.03 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 654.04 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 731.05 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 808.07 | Joback Calculated Property |
| η | 0.0000231 | Pa×s | 885.08 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 962.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to octyl docosanoate.
Sources
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