- InChI
- InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h8H,2,5-6H2,1,3-4H3
- InChI Key
- FSSVRXASHHVANB-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- C=C(C)COC(=O)C(C)CC
- Molecular Weight1
- 156.22
- CAS
- 83783-90-8
- Other Names
-
- 2-Methylallyl 2-methylbutanoate
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -132.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -363.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.152 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | [1018.10; 1018.10] |
|
|
| Inp | 1018.10 | NIST | |
| Inp | 1018.10 | NIST | |
| Tboil | 477.73 | K | Joback Calculated Property |
| Tc | 661.84 | K | Joback Calculated Property |
| Tfus | 232.63 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.50; 376.93] | J/mol×K | [477.73; 661.84] |
|
| Cp,gas | 305.50 | J/mol×K | 477.73 | Joback Calculated Property |
| Cp,gas | 318.73 | J/mol×K | 508.42 | Joback Calculated Property |
| Cp,gas | 331.41 | J/mol×K | 539.10 | Joback Calculated Property |
| Cp,gas | 343.57 | J/mol×K | 569.79 | Joback Calculated Property |
| Cp,gas | 355.20 | J/mol×K | 600.47 | Joback Calculated Property |
| Cp,gas | 366.31 | J/mol×K | 631.16 | Joback Calculated Property |
| Cp,gas | 376.93 | J/mol×K | 661.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylallyl 2-methylbutyrate.
Sources
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