- InChI
- InChI=1S/C14H14O2/c1-3-5-6-11-16-14(15)13-9-7-12(4-2)8-10-13/h1,5-10H,4,11H2,2H3/b6-5+
- InChI Key
- RUVVJERLIGXFDS-AATRIKPKSA-N
- Formula
- C14H14O2
- SMILES
- C#CC=CCOC(=O)c1ccc(CC)cc1
- Molecular Weight1
- 214.26
- 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° | 239.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 57.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 2.595 | Crippen Calculated Property | |
| McVol | 178.900 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Inp | [1758.80; 1758.80] |
|
|
| Inp | 1758.80 | NIST | |
| Inp | 1758.80 | NIST | |
| Tboil | 621.95 | K | Joback Calculated Property |
| Tc | 844.80 | K | Joback Calculated Property |
| Tfus | 400.53 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.62; 503.34] | J/mol×K | [621.95; 844.80] |
|
| Cp,gas | 429.62 | J/mol×K | 621.95 | Joback Calculated Property |
| Cp,gas | 444.08 | J/mol×K | 659.09 | Joback Calculated Property |
| Cp,gas | 457.62 | J/mol×K | 696.23 | Joback Calculated Property |
| Cp,gas | 470.26 | J/mol×K | 733.38 | Joback Calculated Property |
| Cp,gas | 482.06 | J/mol×K | 770.52 | Joback Calculated Property |
| Cp,gas | 493.07 | J/mol×K | 807.66 | Joback Calculated Property |
| Cp,gas | 503.34 | J/mol×K | 844.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, pent-2-en-4-ynyl ester.
Sources
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