- InChI
- InChI=1S/C28H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,27H,5-20,22-25H2,1-4H3
- InChI Key
- UTULGKGDQRRQHR-UHFFFAOYSA-N
- Formula
- C28H54O2
- SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OCCC(C)C
CC=C(C)C - Molecular Weight1
- 422.73
- CAS
- 28228-30-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 20.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -763.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.73 | kJ/mol | Joback Calculated Property |
| log10WS | -10.02 | Crippen Calculated Property | |
| logPoct/wat | 9.564 | Crippen Calculated Property | |
| McVol | 408.520 | ml/mol | McGowan Calculated Property |
| Pc | 694.35 | kPa | Joback Calculated Property |
| Inp | [2915.20; 2915.20] |
|
|
| Inp | 2915.20 | NIST | |
| Inp | 2915.20 | NIST | |
| Tboil | 919.93 | K | Joback Calculated Property |
| Tc | 1129.40 | K | Joback Calculated Property |
| Tfus | 443.44 | K | Joback Calculated Property |
| Vc | 1.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1389.34; 1510.51] | J/mol×K | [919.93; 1129.40] |
|
| Cp,gas | 1389.34 | J/mol×K | 919.93 | Joback Calculated Property |
| Cp,gas | 1412.81 | J/mol×K | 954.84 | Joback Calculated Property |
| Cp,gas | 1434.86 | J/mol×K | 989.75 | Joback Calculated Property |
| Cp,gas | 1455.58 | J/mol×K | 1024.66 | Joback Calculated Property |
| Cp,gas | 1475.04 | J/mol×K | 1059.58 | Joback Calculated Property |
| Cp,gas | 1493.32 | J/mol×K | 1094.49 | Joback Calculated Property |
| Cp,gas | 1510.51 | J/mol×K | 1129.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-dimethyloct-6-en-1-yl stearate.
Sources
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