- InChI
- InChI=1S/C22H42O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,21H,5-14,16-19H2,1-4H3
- InChI Key
- GARTVHIDFKCTCG-UHFFFAOYSA-N
- Formula
- C22H42O2
- SMILES
-
CCCCCCCCCCCC(=O)OCCC(C)CCC=C(C
)C - Molecular Weight1
- 338.57
- CAS
- 72934-07-7
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9134 | Relay (... Calculated Property | |
| ΔfG° | -30.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.62 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 50.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.53 | eV | Relay (... Calculated Property |
| log10WS | -6.92 | Relay (... Calculated Property | |
| logPoct/wat | 7.223 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 965.07 | kPa | Joback Calculated Property |
| Inp | [2313.00; 2313.00] |
|
|
| Inp | 2313.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Tboil | 612.10 | K | Relay (... Calculated Property |
| Tc | 787.24 | K | Relay (... Calculated Property |
| Tfus | 257.98 | K | Relay (... Calculated Property |
| Vc | 1.209 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.90; 1113.70] | J/mol×K | [782.65; 963.27] |
|
| Cp,gas | 1006.90 | J/mol×K | 782.65 | Joback Calculated Property |
| Cp,gas | 1027.10 | J/mol×K | 812.75 | Joback Calculated Property |
| Cp,gas | 1046.29 | J/mol×K | 842.86 | Joback Calculated Property |
| Cp,gas | 1064.51 | J/mol×K | 872.96 | Joback Calculated Property |
| Cp,gas | 1081.79 | J/mol×K | 903.07 | Joback Calculated Property |
| Cp,gas | 1098.17 | J/mol×K | 933.17 | Joback Calculated Property |
| Cp,gas | 1113.70 | J/mol×K | 963.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Dimethyloct-6-en-1-yl dodecanoate.
Sources
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