- InChI
- InChI=1S/C6H8O2/c1-3-5-8-6(7)4-2/h1H,4-5H2,2H3
- InChI Key
- BGRYSGVIVVUJHH-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- C#CCOC(=O)CC
- Molecular Weight1
- 112.13
- CAS
- 1932-92-9
- Other Names
-
- Propargyl propionate
- Propargyl proprionate
- 2-Propynyl propionate
- 2-Propyn-1-ol, propanoate
- Propanoic acid, 2-propynyl ester
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -11.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.96 | kJ/mol | Joback Calculated Property |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 0.573 | Crippen Calculated Property | |
| McVol | 94.240 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Inp | [773.00; 818.00] |
|
|
| Inp | 784.00 | NIST | |
| Inp | 773.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 809.00 | NIST | |
| I | [1305.00; 1312.00] |
|
|
| I | 1305.00 | NIST | |
| I | 1305.00 | NIST | |
| I | 1312.00 | NIST | |
| Tboil | 403.09 | K | Joback Calculated Property |
| Tc | 593.57 | K | Joback Calculated Property |
| Tfus | 276.51 | K | Joback Calculated Property |
| Vc | 0.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.30; 218.41] | J/mol×K | [403.09; 593.57] |
|
| Cp,gas | 174.30 | J/mol×K | 403.09 | Joback Calculated Property |
| Cp,gas | 182.39 | J/mol×K | 434.84 | Joback Calculated Property |
| Cp,gas | 190.19 | J/mol×K | 466.58 | Joback Calculated Property |
| Cp,gas | 197.68 | J/mol×K | 498.33 | Joback Calculated Property |
| Cp,gas | 204.88 | J/mol×K | 530.08 | Joback Calculated Property |
| Cp,gas | 211.79 | J/mol×K | 561.83 | Joback Calculated Property |
| Cp,gas | 218.41 | J/mol×K | 593.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-ol, propionate.
Sources
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