- InChI
- InChI=1S/C24H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-19-24(25)26-21-20-23(4)18-16-17-22(2)3/h17,23H,5-16,18-21H2,1-4H3
- InChI Key
- MIBQSCZCOKDSJG-UHFFFAOYSA-N
- Formula
- C24H46O2
- SMILES
-
CCCCCCCCCCCCCC(=O)OCCC(C)CCC=C
(C)C - Molecular Weight1
- 366.62
- CAS
- 3681-72-9
- 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° | -13.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.82 | kJ/mol | Joback Calculated Property |
| log10WS | -8.34 | Crippen Calculated Property | |
| logPoct/wat | 8.003 | Crippen Calculated Property | |
| McVol | 352.160 | ml/mol | McGowan Calculated Property |
| Pc | 859.48 | kPa | Joback Calculated Property |
| Inp | [2513.60; 2513.60] |
|
|
| Inp | 2513.60 | NIST | |
| Inp | 2513.60 | NIST | |
| Tboil | 828.41 | K | Joback Calculated Property |
| Tc | 1015.17 | K | Joback Calculated Property |
| Tfus | 398.36 | K | Joback Calculated Property |
| Vc | 1.379 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1131.65; 1242.40] | J/mol×K | [828.41; 1015.17] |
|
| Cp,gas | 1131.65 | J/mol×K | 828.41 | Joback Calculated Property |
| Cp,gas | 1152.73 | J/mol×K | 859.54 | Joback Calculated Property |
| Cp,gas | 1172.70 | J/mol×K | 890.66 | Joback Calculated Property |
| Cp,gas | 1191.60 | J/mol×K | 921.79 | Joback Calculated Property |
| Cp,gas | 1209.49 | J/mol×K | 952.92 | Joback Calculated Property |
| Cp,gas | 1226.41 | J/mol×K | 984.05 | Joback Calculated Property |
| Cp,gas | 1242.40 | J/mol×K | 1015.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Dimethyloct-6-en-1-yl tetradecanoate.
Sources
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