- InChI
- InChI=1S/C11H20O2/c1-6-9(4)11(12)13-10(5)7-8(2)3/h6,8,10H,7H2,1-5H3/b9-6+
- InChI Key
- KIDWQYKYQAMOLE-RMKNXTFCSA-N
- Formula
- C11H20O2
- SMILES
- CC=C(C)C(=O)OC(C)CC(C)C
- Molecular Weight1
- 184.28
- 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° | -125.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.01 | Crippen Calculated Property | |
| logPoct/wat | 2.930 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2153.30 | kPa | Joback Calculated Property |
| Inp | 1196.00 | NIST | |
| Tboil | 530.53 | K | Joback Calculated Property |
| Tc | 718.97 | K | Joback Calculated Property |
| Tfus | 236.85 | K | Joback Calculated Property |
| Vc | 0.644 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.70; 480.74] | J/mol×K | [530.53; 718.97] | 
|
| Cp,gas | 397.70 | J/mol×K | 530.53 | Joback Calculated Property |
| Cp,gas | 413.26 | J/mol×K | 561.94 | Joback Calculated Property |
| Cp,gas | 428.11 | J/mol×K | 593.34 | Joback Calculated Property |
| Cp,gas | 442.26 | J/mol×K | 624.75 | Joback Calculated Property |
| Cp,gas | 455.74 | J/mol×K | 656.16 | Joback Calculated Property |
| Cp,gas | 468.56 | J/mol×K | 687.56 | Joback Calculated Property |
| Cp,gas | 480.74 | J/mol×K | 718.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylpentan-2-yl (E)-2-methylbut-2-enoate.
Sources
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