- InChI
- InChI=1S/C26H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h19,25H,5-18,20-23H2,1-4H3
- InChI Key
- YTGIONGRGTWTNY-UHFFFAOYSA-N
- Formula
- C26H50O2
- SMILES
-
CCCCCCCCCCCCCCCC(=O)OCCC(C)CCC
=C(C)C - Molecular Weight1
- 394.67
- CAS
- 7243-93-8
- 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° | 3.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.28 | kJ/mol | Joback Calculated Property |
| log10WS | -9.18 | Crippen Calculated Property | |
| logPoct/wat | 8.784 | Crippen Calculated Property | |
| McVol | 380.340 | ml/mol | McGowan Calculated Property |
| Pc | 770.32 | kPa | Joback Calculated Property |
| Inp | [2713.80; 2713.80] |
|
|
| Inp | 2713.80 | NIST | |
| Inp | 2713.80 | NIST | |
| Tboil | 874.17 | K | Joback Calculated Property |
| Tc | 1070.36 | K | Joback Calculated Property |
| Tfus | 420.90 | K | Joback Calculated Property |
| Vc | 1.490 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1259.28; 1374.72] | J/mol×K | [874.17; 1070.36] |
|
| Cp,gas | 1259.28 | J/mol×K | 874.17 | Joback Calculated Property |
| Cp,gas | 1281.42 | J/mol×K | 906.87 | Joback Calculated Property |
| Cp,gas | 1302.33 | J/mol×K | 939.57 | Joback Calculated Property |
| Cp,gas | 1322.05 | J/mol×K | 972.26 | Joback Calculated Property |
| Cp,gas | 1340.65 | J/mol×K | 1004.96 | Joback Calculated Property |
| Cp,gas | 1358.19 | J/mol×K | 1037.66 | Joback Calculated Property |
| Cp,gas | 1374.72 | J/mol×K | 1070.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Dimethyloct-6-en-1-yl palmitate.
Sources
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