- InChI
- InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
- InChI Key
- ACJOYTKWHPEIHW-UHFFFAOYSA-N
- Formula
- C11H10O2
- SMILES
- CCOC(=O)C#Cc1ccccc1
- Molecular Weight1
- 174.20
- CAS
- 2216-94-6
- Other Names
-
- Ethyl 3-phenylpropiolate
- Ethyl phenylacetylenecarboxylate
- 2-Propynoic acid, 3-phenyl-, ethyl ester
- Ethyl phenylpropriolate
- Phenylacetylene monocarboxylic acid ethyl ester
- Propiolic acid, phenyl-, ethyl ester
- Ethyl phenylpropynoate
- Ethyl 3-phenylpropynoate
- NSC 41566
- 3-Phenyl-2-propynoic acid ethyl ester
- ethyl 3-phenylprop-2-ynoate
- 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 | -5606.10 | kJ/mol | NIST |
| ΔfG° | 123.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6.34 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-151.70; 189.00] | kJ/mol |
|
| ΔfH°liquid | -151.70 ± 5.00 | kJ/mol | NIST |
| ΔfH°liquid | 189.00 | kJ/mol | NIST |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.66 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 1.601 | Crippen Calculated Property | |
| McVol | 140.930 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Tboil | [538.00; 538.20] | K |
|
| Tboil | 538.00 ± 5.00 | K | NIST |
| Tboil | 538.20 | K | NIST |
| Tc | 799.43 | K | Joback Calculated Property |
| Tfus | 418.41 | K | Joback Calculated Property |
| Vc | 0.529 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.87; 377.57] | J/mol×K | [563.05; 799.43] |
|
| Cp,gas | 308.87 | J/mol×K | 563.05 | Joback Calculated Property |
| Cp,gas | 322.37 | J/mol×K | 602.45 | Joback Calculated Property |
| Cp,gas | 335.03 | J/mol×K | 641.84 | Joback Calculated Property |
| Cp,gas | 346.86 | J/mol×K | 681.24 | Joback Calculated Property |
| Cp,gas | 357.87 | J/mol×K | 720.64 | Joback Calculated Property |
| Cp,gas | 368.10 | J/mol×K | 760.03 | Joback Calculated Property |
| Cp,gas | 377.57 | J/mol×K | 799.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethylphenylpropiolate.
Sources
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