- InChI
- InChI=1S/C11H20O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h2,4-9H2,1,3H3
- InChI Key
- PFKCNOUVNPEGIF-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- C=C(C)CCOC(=O)CCCCC
- 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.
- I : 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° | -112.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.65 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2102.27 | kPa | Joback Calculated Property |
| Inp | [1213.00; 1240.00] |
|
|
| Inp | 1213.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| I | 1522.00 | NIST | |
| Tboil | 523.93 | K | Joback Calculated Property |
| Tc | 700.83 | K | Joback Calculated Property |
| Tfus | 270.17 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.02; 475.06] | J/mol×K | [523.93; 700.83] |
|
| Cp,gas | 396.02 | J/mol×K | 523.93 | Joback Calculated Property |
| Cp,gas | 410.66 | J/mol×K | 553.41 | Joback Calculated Property |
| Cp,gas | 424.70 | J/mol×K | 582.90 | Joback Calculated Property |
| Cp,gas | 438.14 | J/mol×K | 612.38 | Joback Calculated Property |
| Cp,gas | 451.01 | J/mol×K | 641.86 | Joback Calculated Property |
| Cp,gas | 463.32 | J/mol×K | 671.35 | Joback Calculated Property |
| Cp,gas | 475.06 | J/mol×K | 700.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-methyl-3-butenyl hexanoate.
Sources
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