- InChI
- InChI=1S/C12H22O2/c1-4-6-7-8-9-10-14-12(13)11(3)5-2/h5H,4,6-10H2,1-3H3/b11-5+
- InChI Key
- AHFSPERSNRDCGH-VZUCSPMQSA-N
- Formula
- C12H22O2
- SMILES
- CC=C(C)C(=O)OCCCCCCC
- Molecular Weight1
- 198.30
- 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° | -112.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -428.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [1429.00; 1429.00] |
|
|
| Inp | 1429.00 | NIST | |
| Inp | 1429.00 | NIST | |
| Tboil | 554.29 | K | Joback Calculated Property |
| Tc | 733.58 | K | Joback Calculated Property |
| Tfus | 278.12 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.54; 528.92] | J/mol×K | [554.29; 733.58] |
|
| Cp,gas | 445.54 | J/mol×K | 554.29 | Joback Calculated Property |
| Cp,gas | 461.07 | J/mol×K | 584.17 | Joback Calculated Property |
| Cp,gas | 475.92 | J/mol×K | 614.05 | Joback Calculated Property |
| Cp,gas | 490.12 | J/mol×K | 643.93 | Joback Calculated Property |
| Cp,gas | 503.67 | J/mol×K | 673.81 | Joback Calculated Property |
| Cp,gas | 516.59 | J/mol×K | 703.70 | Joback Calculated Property |
| Cp,gas | 528.92 | J/mol×K | 733.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl (E)-2-methylbut-2-enoate.
Sources
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