- InChI
- InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3,5,7,9H,4,6H2,1-2H3
- InChI Key
- PCOMBRWRJCHFGG-HWKANZROSA-N
- Formula
- C8H14O3
- SMILES
- C/C=C/C(O)CC(=O)OCC
- Molecular Weight1
- 158.20
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6232 | Relay (1.0) Calculated Property | |
| ΔfG° | -352.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.877 | Crippen Calculated Property | |
| McVol | 132.590 | ml/mol | McGowan Calculated Property |
| Pc | 2989.32 | kPa | Joback Calculated Property |
| Tboil | 462.63 | K | Relay (1.0) Calculated Property |
| Tc | 655.91 | K | Relay (1.0) Calculated Property |
| Tfus | 289.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.71; 428.79] | 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 | 1.04520e+01 | |||
| Coefficient B | 7.68940e-01 | |||
| Coefficient C | -4.34200e-04 | |||
| Coefficient D | 8.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 189.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 269.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 302.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 332.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 357.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 380.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 399.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 415.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 428.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0417738; 0.0001357] | Pa×s | [262.99; 498.81] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.52942e+01 | |||
| Coefficient B | 3.18709e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 262.99 | |||
| Temperature range, max. | 498.81 | |||
| η | 0.0417738 | Pa×s | 262.99 | Calculated Property |
| η | 0.0139328 | Pa×s | 289.19 | Calculated Property |
| η | 0.0055771 | Pa×s | 315.40 | Calculated Property |
| η | 0.0025691 | Pa×s | 341.60 | Calculated Property |
| η | 0.0013216 | Pa×s | 367.80 | Calculated Property |
| η | 0.0007427 | Pa×s | 394.00 | Calculated Property |
| η | 0.0004485 | Pa×s | 420.21 | Calculated Property |
| η | 0.0002874 | Pa×s | 446.41 | Calculated Property |
| η | 0.0001934 | Pa×s | 472.61 | Calculated Property |
| η | 0.0001357 | Pa×s | 498.81 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hydroxy-4-hexenoic acid, ethyl ester.
Sources
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