- InChI
- InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3
- InChI Key
- FMVJYQGSRWVMQV-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- C#CC(=O)OCC
- Molecular Weight1
- 98.10
- CAS
- 623-47-2
- Other Names
-
- Ethyl acetylenecarboxylate
- Propiolic acid ethyl ester
- Ethyl propynoate
- 2-Propynoic acid, ethyl ester
- (Ethoxycarbonyl)acetylene
- Ethyl 2-propynoate
- 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 | -2659.00 | kJ/mol | NIST |
| ΔfG° | -19.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -99.43 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-166.00; 187.00] | kJ/mol |
|
| ΔfH°liquid | -166.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | 187.00 | kJ/mol | NIST |
| ΔfusH° | 14.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.74 | kJ/mol | Joback Calculated Property |
| log10WS | -0.57 | Crippen Calculated Property | |
| logPoct/wat | 0.183 | Crippen Calculated Property | |
| McVol | 80.150 | ml/mol | McGowan Calculated Property |
| Pc | 4420.84 | kPa | Joback Calculated Property |
| Tboil | [392.65; 393.20] | K |
|
| Tboil | 393.20 | K | NIST |
| Tboil | 393.00 | K | NIST |
| Tboil | 392.65 ± 2.00 | K | NIST |
| Tc | 572.00 | K | Joback Calculated Property |
| Tfus | 265.24 | K | Joback Calculated Property |
| Vc | 0.301 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.27; 176.08] | J/mol×K | [380.21; 572.00] |
|
| Cp,gas | 140.27 | J/mol×K | 380.21 | Joback Calculated Property |
| Cp,gas | 146.80 | J/mol×K | 412.17 | Joback Calculated Property |
| Cp,gas | 153.11 | J/mol×K | 444.14 | Joback Calculated Property |
| Cp,gas | 159.19 | J/mol×K | 476.10 | Joback Calculated Property |
| Cp,gas | 165.05 | J/mol×K | 508.07 | Joback Calculated Property |
| Cp,gas | 170.68 | J/mol×K | 540.03 | Joback Calculated Property |
| Cp,gas | 176.08 | J/mol×K | 572.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl propiolate.
Sources
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