- InChI
- InChI=1S/C14H14O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h1,3-9H,10-12H2
- InChI Key
- YFHXFLJONGJWOS-UHFFFAOYSA-N
- Formula
- C14H14O2
- SMILES
- C#CC=CCOC(=O)CCc1ccccc1
- Molecular Weight1
- 214.26
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4900 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -24.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.352 | Crippen Calculated Property | |
| McVol | 178.900 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | 1640.00 | NIST | |
| Tboil | 559.73 | K | Relay (1.0) Calculated Property |
| Tc | 780.64 | K | Relay (1.0) Calculated Property |
| Tfus | 309.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.609 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.33; 504.87] | J/mol×K | [616.97; 838.88] | 
|
| Cp,gas | 430.33 | J/mol×K | 616.97 | Joback Calculated Property |
| Cp,gas | 445.03 | J/mol×K | 653.96 | Joback Calculated Property |
| Cp,gas | 458.75 | J/mol×K | 690.94 | Joback Calculated Property |
| Cp,gas | 471.54 | J/mol×K | 727.93 | Joback Calculated Property |
| Cp,gas | 483.45 | J/mol×K | 764.91 | Joback Calculated Property |
| Cp,gas | 494.54 | J/mol×K | 801.90 | Joback Calculated Property |
| Cp,gas | 504.87 | J/mol×K | 838.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, pent-2-en-4-ynyl ester.
Sources
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