- InChI
- InChI=1S/C14H18O2/c1-3-4-5-6-10-14(15)16-13-9-7-8-12(2)11-13/h6-11H,3-5H2,1-2H3/b10-6+
- InChI Key
- AFDOMHJVYWVYGL-UXBLZVDNSA-N
- Formula
- C14H18O2
- SMILES
- CCCCC=CC(=O)Oc1cccc(C)c1
- Molecular Weight1
- 218.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 16.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.647 | Crippen Calculated Property | |
| McVol | 187.500 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [1756.00; 1756.00] |
|
|
| Inp | 1756.00 | NIST | |
| Inp | 1756.00 | NIST | |
| Tboil | 631.83 | K | Joback Calculated Property |
| Tc | 840.79 | K | Joback Calculated Property |
| Tfus | 353.56 | K | Joback Calculated Property |
| Vc | 0.716 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.86; 553.65] | J/mol×K | [631.83; 840.79] |
|
| Cp,gas | 472.86 | J/mol×K | 631.83 | Joback Calculated Property |
| Cp,gas | 488.49 | J/mol×K | 666.66 | Joback Calculated Property |
| Cp,gas | 503.21 | J/mol×K | 701.48 | Joback Calculated Property |
| Cp,gas | 517.05 | J/mol×K | 736.31 | Joback Calculated Property |
| Cp,gas | 530.04 | J/mol×K | 771.13 | Joback Calculated Property |
| Cp,gas | 542.23 | J/mol×K | 805.96 | Joback Calculated Property |
| Cp,gas | 553.65 | J/mol×K | 840.79 | Joback Calculated Property |
| η | [0.0001284; 0.0014668] | Pa×s | [353.56; 631.83] |
|
| η | 0.0014668 | Pa×s | 353.56 | Joback Calculated Property |
| η | 0.0007724 | Pa×s | 399.94 | Joback Calculated Property |
| η | 0.0004647 | Pa×s | 446.32 | Joback Calculated Property |
| η | 0.0003077 | Pa×s | 492.69 | Joback Calculated Property |
| η | 0.0002187 | Pa×s | 539.07 | Joback Calculated Property |
| η | 0.0001641 | Pa×s | 585.45 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 631.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenoic acid, 3-methylphenyl ester.
Sources
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