- InChI
- InChI=1S/C10H8O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,1H3
- InChI Key
- JFGWPXKGINUNDH-UHFFFAOYSA-N
- Formula
- C10H8O2
- SMILES
- COC(=O)C#Cc1ccccc1
- Molecular Weight1
- 160.17
- CAS
- 4891-38-7
- Other Names
-
- 2-Propynoic acid, 3-phenyl-, methyl ester
- Methyl 3-phenyl-2-propynoate
- Methyl 3-phenylpropiolate
- Methyl 3-phenylpropynoate
- Methyl phenylacetylenecarboxylate
- Methyl phenylethynecarboxylate
- Methyl phenylpropiolate
- Methyl phenylpropynoate
- Propiolic acid, phenyl-, methyl ester
- 2-Phenyl-1-carbomethoxyacetylene
- Phenylpropynoic acid methyl ester
- ΔcH°liquid : Standard liquid 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).
- 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°liquid | -5009.90 | kJ/mol | NIST |
| ΔfG° | 114.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 14.30 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-68.50; 99.60] | kJ/mol |
|
| ΔfH°liquid | -68.50 ± 5.00 | kJ/mol | NIST |
| ΔfH°liquid | 99.60 | kJ/mol | NIST |
| ΔfusH° | 21.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.44 | kJ/mol | Joback Calculated Property |
| log10WS | -1.87 | Crippen Calculated Property | |
| logPoct/wat | 1.211 | Crippen Calculated Property | |
| McVol | 126.840 | ml/mol | McGowan Calculated Property |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Tboil | 540.17 | K | Joback Calculated Property |
| Tc | 781.41 | K | Joback Calculated Property |
| Tfus | 290.00 ± 1.00 | K | NIST |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.21; 327.54] | J/mol×K | [540.17; 781.41] |
|
| Cp,gas | 264.21 | J/mol×K | 540.17 | Joback Calculated Property |
| Cp,gas | 276.68 | J/mol×K | 580.38 | Joback Calculated Property |
| Cp,gas | 288.37 | J/mol×K | 620.58 | Joback Calculated Property |
| Cp,gas | 299.27 | J/mol×K | 660.79 | Joback Calculated Property |
| Cp,gas | 309.43 | J/mol×K | 701.00 | Joback Calculated Property |
| Cp,gas | 318.84 | J/mol×K | 741.20 | Joback Calculated Property |
| Cp,gas | 327.54 | J/mol×K | 781.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propiolic acid, 3-phenyl-, methyl ester.
Sources
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