- InChI
- InChI=1S/C13H22O2/c1-5-6-7-8-9-12(4)15-13(14)10-11(2)3/h8-10,12H,5-7H2,1-4H3/b9-8+
- InChI Key
- UWYBWLYYGHZBJX-CMDGGOBGSA-N
- Formula
- C13H22O2
- SMILES
- CCCCC=CC(C)OC(=O)C=C(C)C
- Molecular Weight1
- 210.31
- 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° | -25.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.95 | Crippen Calculated Property | |
| logPoct/wat | 3.631 | Crippen Calculated Property | |
| McVol | 192.870 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [1411.00; 1411.00] |
|
|
| Inp | 1411.00 | NIST | |
| Inp | 1411.00 | NIST | |
| Tboil | 580.89 | K | Joback Calculated Property |
| Tc | 768.98 | K | Joback Calculated Property |
| Tfus | 269.31 | K | Joback Calculated Property |
| Vc | 0.743 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.68; 562.10] | J/mol×K | [580.89; 768.98] |
|
| Cp,gas | 476.68 | J/mol×K | 580.89 | Joback Calculated Property |
| Cp,gas | 492.79 | J/mol×K | 612.24 | Joback Calculated Property |
| Cp,gas | 508.11 | J/mol×K | 643.59 | Joback Calculated Property |
| Cp,gas | 522.67 | J/mol×K | 674.94 | Joback Calculated Property |
| Cp,gas | 536.50 | J/mol×K | 706.28 | Joback Calculated Property |
| Cp,gas | 549.63 | J/mol×K | 737.63 | Joback Calculated Property |
| Cp,gas | 562.10 | J/mol×K | 768.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-butenoic acid, oct-3-en-2-yl ester.
Sources
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