- 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
- CAS
- 820-71-3
- Other Names
-
- Methallyl acetate
- «beta»-Methallyl acetate
- 1-Acetoxy-2-methyl-2-propene
- 2-Methylallyl acetate
- Acetic acid, 2-methylallylester
- Ir_5525
- Ir
- 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° | -154.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.21 | 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 | 3456.14 | kPa | Joback Calculated Property |
| Tboil | 394.24 | K | Relay (1.0) Calculated Property |
| Tc | 569.90 | K | Relay (1.0) Calculated Property |
| Tfus | 201.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.363 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.88; 235.83] | J/mol×K | [409.53; 594.44] | 
|
| Cp,gas | 184.88 | J/mol×K | 409.53 | Joback Calculated Property |
| Cp,gas | 194.21 | J/mol×K | 440.35 | Joback Calculated Property |
| Cp,gas | 203.19 | J/mol×K | 471.17 | Joback Calculated Property |
| Cp,gas | 211.85 | J/mol×K | 501.99 | Joback Calculated Property |
| Cp,gas | 220.17 | J/mol×K | 532.81 | Joback Calculated Property |
| Cp,gas | 228.17 | J/mol×K | 563.63 | Joback Calculated Property |
| Cp,gas | 235.83 | J/mol×K | 594.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-ol, 2-methyl-, acetate.
Sources
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