- InChI
- InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3-4H2,1-2H3
- InChI Key
- XDPRPKSTFBPPHU-UHFFFAOYSA-N
- Formula
- C7H10O2
- SMILES
- CCC#CC(=O)OCC
- Molecular Weight1
- 126.15
- CAS
- 55314-57-3
- Other Names
-
- Ethyl-2-pentynoate
- ethyl pent-2-yn-1-oate
- 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 | -3881.90 ± 2.50 | kJ/mol | NIST |
| ΔfG° | -23.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -302.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 19.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.00; 52.00] | kJ/mol |
|
| ΔvapH° | 41.00 | kJ/mol | NIST |
| ΔvapH° | 51.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 52.00 | kJ/mol | NIST |
| log10WS | -1.41 | Crippen Calculated Property | |
| logPoct/wat | 0.963 | Crippen Calculated Property | |
| McVol | 108.330 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Tboil | 444.85 | K | Joback Calculated Property |
| Tc | 645.78 | K | Joback Calculated Property |
| Tfus | 346.91 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.40; 263.43] | J/mol×K | [444.85; 645.78] |
|
| Cp,gas | 209.40 | J/mol×K | 444.85 | Joback Calculated Property |
| Cp,gas | 219.27 | J/mol×K | 478.34 | Joback Calculated Property |
| Cp,gas | 228.80 | J/mol×K | 511.83 | Joback Calculated Property |
| Cp,gas | 237.99 | J/mol×K | 545.31 | Joback Calculated Property |
| Cp,gas | 246.82 | J/mol×K | 578.80 | Joback Calculated Property |
| Cp,gas | 255.30 | J/mol×K | 612.29 | Joback Calculated Property |
| Cp,gas | 263.43 | J/mol×K | 645.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentynoic acid ethyl ester.
Sources
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