- InChI
- InChI=1S/C22H40O2/c1-5-6-7-8-9-10-11-12-13-17-22(23)24-19-18-21(4)16-14-15-20(2)3/h15,18H,5-14,16-17,19H2,1-4H3/b21-18+
- InChI Key
- LNEUQAMNTXRCPI-DYTRJAOYSA-N
- Formula
- C22H40O2
- SMILES
-
CCCCCCCCCCCC(=O)OCC=C(C)CCC=C(
C)C - Molecular Weight1
- 336.55
- CAS
- 72934-09-9
- 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 | 0.8628 | Relay (1.0) Calculated Property | |
| ΔfG° | 43.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.143 | Crippen Calculated Property | |
| McVol | 319.680 | ml/mol | McGowan Calculated Property |
| Pc | 995.13 | kPa | Joback Calculated Property |
| Inp | 2349.00 | NIST | |
| Tboil | 610.64 | K | Relay (1.0) Calculated Property |
| Tc | 788.50 | K | Relay (1.0) Calculated Property |
| Tfus | 258.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.183 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [981.68; 1086.10] | J/mol×K | [787.13; 970.60] | 
|
| Cp,gas | 981.68 | J/mol×K | 787.13 | Joback Calculated Property |
| Cp,gas | 1001.33 | J/mol×K | 817.71 | Joback Calculated Property |
| Cp,gas | 1020.02 | J/mol×K | 848.29 | Joback Calculated Property |
| Cp,gas | 1037.79 | J/mol×K | 878.87 | Joback Calculated Property |
| Cp,gas | 1054.69 | J/mol×K | 909.45 | Joback Calculated Property |
| Cp,gas | 1070.78 | J/mol×K | 940.02 | Joback Calculated Property |
| Cp,gas | 1086.10 | J/mol×K | 970.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3,7-Dimethylocta-2,6-dien-1-yl dodecanoate.
Sources
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