- InChI
- InChI=1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h4,7H,3H2,1-2H3/b5-4-
- InChI Key
- UPWSFLJBKRQKBD-SNAWJCMRSA-N
- Formula
- C6H10O3
- SMILES
- CCOC(=O)/C(C)=C/O
- Molecular Weight1
- 130.14
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5558 | Relay (1.0) Calculated Property | |
| ΔfG° | -375.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.011 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3718.02 | kPa | Joback Calculated Property |
| Tboil | 470.98 | K | Relay (1.0) Calculated Property |
| Tc | 664.39 | K | Relay (1.0) Calculated Property |
| Tfus | 278.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.75; 324.80] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.42610e+01 | |||
| Coefficient B | 5.72940e-01 | |||
| Coefficient C | -3.24500e-04 | |||
| Coefficient D | 6.21000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 231.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 253.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 272.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 289.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 303.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 314.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 324.80 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-hydroxy-2-methyl-, ethyl ester.
Sources
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