- InChI
- InChI=1S/C9H6O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,(H,10,11)
- InChI Key
- XNERWVPQCYSMLC-UHFFFAOYSA-N
- Formula
- C9H6O2
- SMILES
- O=C(O)C#Cc1ccccc1
- Molecular Weight1
- 146.14
- CAS
- 637-44-5
- Other Names
-
- Phenylacetylenecarboxylic acid
- 3-Phenylpropynoic acid
- 2-Propynoic acid, 3-phenyl-
- Phenylacetylene monocarboxylic acid
- Phenylpropynoic acid
- Propiolic acid, phenyl-
- Propiolic acid, 3-phenyl-
- 3-Phenylpropiolic acid
- «beta»-Phenylpropargylic acid
- 3-Phenylpropargylic acid
- NSC 13669
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -4277.30 | kJ/mol | NIST |
| ΔfG° | 74.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 14.93 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -121.80 ± 4.00 | kJ/mol | NIST |
| ΔfH°solid | 146.00 | kJ/mol | NIST |
| ΔfusH° | 21.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.69 | Crippen Calculated Property | |
| logPoct/wat | 1.123 | Crippen Calculated Property | |
| McVol | 112.750 | ml/mol | McGowan Calculated Property |
| Pc | 4849.43 | kPa | Joback Calculated Property |
| Tboil | 587.05 | K | Joback Calculated Property |
| Tc | 815.32 | K | Joback Calculated Property |
| Tfus | 410.00 ± 2.00 | K | NIST |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.34; 287.54] | J/mol×K | [587.05; 815.32] | 
|
| Cp,gas | 241.34 | J/mol×K | 587.05 | Joback Calculated Property |
| Cp,gas | 250.57 | J/mol×K | 625.10 | Joback Calculated Property |
| Cp,gas | 259.14 | J/mol×K | 663.14 | Joback Calculated Property |
| Cp,gas | 267.10 | J/mol×K | 701.19 | Joback Calculated Property |
| Cp,gas | 274.46 | J/mol×K | 739.23 | Joback Calculated Property |
| Cp,gas | 281.26 | J/mol×K | 777.28 | Joback Calculated Property |
| Cp,gas | 287.54 | J/mol×K | 815.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylpropiolic acid.
Sources
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