- InChI
- InChI=1S/C13H14O2/c1-3-11(2)15-13(14)10-9-12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3
- InChI Key
- APZMFOKMZRKWPN-UHFFFAOYSA-N
- Formula
- C13H14O2
- SMILES
- C#CC(C)OC(=O)CCc1ccccc1
- Molecular Weight1
- 202.25
- 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° | 157.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.43 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 2.184 | Crippen Calculated Property | |
| McVol | 169.110 | ml/mol | McGowan Calculated Property |
| Pc | 2676.31 | kPa | Joback Calculated Property |
| Inp | 1440.00 | NIST | |
| Tboil | 589.49 | K | Joback Calculated Property |
| Tc | 810.67 | K | Joback Calculated Property |
| Tfus | 366.82 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.50; 478.90] | J/mol×K | [589.49; 810.67] | 
|
| Cp,gas | 402.50 | J/mol×K | 589.49 | Joback Calculated Property |
| Cp,gas | 417.51 | J/mol×K | 626.35 | Joback Calculated Property |
| Cp,gas | 431.56 | J/mol×K | 663.22 | Joback Calculated Property |
| Cp,gas | 444.68 | J/mol×K | 700.08 | Joback Calculated Property |
| Cp,gas | 456.93 | J/mol×K | 736.94 | Joback Calculated Property |
| Cp,gas | 468.32 | J/mol×K | 773.80 | Joback Calculated Property |
| Cp,gas | 478.90 | J/mol×K | 810.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, but-3-yn-2-yl ester.
Sources
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