- InChI
- InChI=1S/C14H22O2/c1-10(2)12(5)9-13(11(3)4)7-8-14(15)16-6/h7-8,10H,5,9H2,1-4,6H3/b8-7+
- InChI Key
- DADDHWNPTKGIBN-BQYQJAHWSA-N
- Formula
- C14H22O2
- SMILES
- C=C(CC(C=CC(=O)OC)=C(C)C)C(C)C
- Molecular Weight1
- 222.32
- Other Names
-
- 4-Isopropylidene-7-methyl-6-methylene-2-octenoic acid, methyl ester
- 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).
- 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° | 53.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -251.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.654 | Crippen Calculated Property | |
| McVol | 202.660 | ml/mol | McGowan Calculated Property |
| Pc | 1815.41 | kPa | Joback Calculated Property |
| Tboil | 600.21 | K | Joback Calculated Property |
| Tc | 795.55 | K | Joback Calculated Property |
| Tfus | 250.90 | K | Joback Calculated Property |
| Vc | 0.781 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.94; 593.14] | J/mol×K | [600.21; 795.55] | 
|
| Cp,gas | 505.94 | J/mol×K | 600.21 | Joback Calculated Property |
| Cp,gas | 522.52 | J/mol×K | 632.77 | Joback Calculated Property |
| Cp,gas | 538.22 | J/mol×K | 665.32 | Joback Calculated Property |
| Cp,gas | 553.09 | J/mol×K | 697.88 | Joback Calculated Property |
| Cp,gas | 567.17 | J/mol×K | 730.44 | Joback Calculated Property |
| Cp,gas | 580.51 | J/mol×K | 763.00 | Joback Calculated Property |
| Cp,gas | 593.14 | J/mol×K | 795.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octenoic acid, 4-isopropylidene-7-methyl-6-methylene-, methyl ester.
Sources
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