- InChI
- InChI=1S/C6H10O2/c1-4(2)5(3)6(7)8/h1-3H3,(H,7,8)
- InChI Key
- UAXOELSVPTZZQG-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CC(C)=C(C)C(=O)O
- Molecular Weight1
- 114.14
- CAS
- 4411-97-6
- 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 | 0.5697 | Relay (1.0) Calculated Property | |
| ΔfG° | -281.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.427 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3704.46 | kPa | Joback Calculated Property |
| Tboil | 464.57 | K | Relay (1.0) Calculated Property |
| Tc | 677.38 | K | Relay (1.0) Calculated Property |
| Tfus | 342.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.361 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.69; 308.53] | 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 | -1.15300e+01 | |||
| Coefficient B | 6.44460e-01 | |||
| Coefficient C | -4.63600e-04 | |||
| Coefficient D | 1.39200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 132.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 216.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 237.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 255.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 271.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 284.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 297.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 308.53 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenoic acid, 2,3-dimethyl-.
Sources
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