- InChI
- InChI=1S/C6H10O2/c1-5(2)4-8-6(3)7/h1,4H2,2-3H3
- InChI Key
- IVKYUXHYUAMPMT-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- C=C(C)COC(C)=O
- Molecular Weight1
- 114.14
- Other Names
-
- 1-Acetoxy-2-methyl-2-propene
- 2-Methylallyl acetate
- Acetic acid, 2-methylallylester
- Ir
- Ir_5525
- Methallyl acetate
- «beta»-Methallyl acetate
- 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 | 0.3848 | Relay (1.0) Calculated Property | |
| ΔfG° | -231.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.126 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Tboil | 394.24 | K | Relay (1.0) Calculated Property |
| Tc | 576.92 | K | Relay (1.0) Calculated Property |
| Tfus | 197.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.370 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.45; 308.20] | 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 | 2.01610e+01 | |||
| Coefficient B | 4.98940e-01 | |||
| Coefficient C | -2.33200e-04 | |||
| Coefficient D | 2.23000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.48 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 194.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 257.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 287.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 299.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 308.20 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-ol, 2-methyl-, acetate.
Sources
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