- InChI
- InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h4-5H,1H2,2-3H3
- InChI Key
- WNMORWGTPVWAIB-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- C=COC(=O)C(C)C
- Molecular Weight1
- 114.14
- Other Names
-
- Propanoic acid, 2-methyl-, ethenyl ester
- vinyl isobutyrate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.4487 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -356.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.329 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3306.75 | kPa | Joback Calculated Property |
| Tboil | 368.11 | K | Relay (1.0) Calculated Property |
| Tc | 547.99 | K | Relay (1.0) Calculated Property |
| Tfus | 178.20 ± 0.60 | K | NIST |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.98; 309.01] | 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 | 1.81700e+01 | |||
| Coefficient B | 5.04940e-01 | |||
| Coefficient C | -2.34100e-04 | |||
| Coefficient D | 2.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.95 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 240.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 258.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 275.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 288.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 300.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 309.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0109269; 0.0002304] | Pa×s | [178.20; 401.00] |
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 | -1.14625e+01 | |||
| Coefficient B | 1.23778e+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. | 178.20 | |||
| Temperature range, max. | 401.00 | |||
| η | 0.0109269 | Pa×s | 178.20 | Calculated Property |
| η | 0.0046833 | Pa×s | 202.96 | Calculated Property |
| η | 0.0024133 | Pa×s | 227.71 | Calculated Property |
| η | 0.0014162 | Pa×s | 252.47 | Calculated Property |
| η | 0.0009141 | Pa×s | 277.22 | Calculated Property |
| η | 0.0006339 | Pa×s | 301.98 | Calculated Property |
| η | 0.0004647 | Pa×s | 326.73 | Calculated Property |
| η | 0.0003559 | Pa×s | 351.49 | Calculated Property |
| η | 0.0002823 | Pa×s | 376.24 | Calculated Property |
| η | 0.0002304 | Pa×s | 401.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Isobutyric acid, vinyl ester.
Sources
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