- InChI
- InChI=1S/C11H20O2/c1-4-6-10(3)8-9-13-11(12)7-5-2/h6H,4-5,7-9H2,1-3H3/b10-6-
- InChI Key
- SMJVHJPBTMEGCQ-POHAHGRESA-N
- Formula
- C11H20O2
- SMILES
- CCC=C(C)CCOC(=O)CCC
- Molecular Weight1
- 184.28
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5433 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.076 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | 1237.00 | NIST | |
| Tboil | 482.07 | K | Relay (1.0) Calculated Property |
| Tc | 665.35 | K | Relay (1.0) Calculated Property |
| Tfus | 188.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.17; 476.80] | J/mol×K | [531.41; 712.45] | 
|
| Cp,gas | 397.17 | J/mol×K | 531.41 | Joback Calculated Property |
| Cp,gas | 412.00 | J/mol×K | 561.58 | Joback Calculated Property |
| Cp,gas | 426.18 | J/mol×K | 591.76 | Joback Calculated Property |
| Cp,gas | 439.73 | J/mol×K | 621.93 | Joback Calculated Property |
| Cp,gas | 452.68 | J/mol×K | 652.10 | Joback Calculated Property |
| Cp,gas | 465.03 | J/mol×K | 682.28 | Joback Calculated Property |
| Cp,gas | 476.80 | J/mol×K | 712.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butanoic acid, 3-methyl-3Z-hexen-1-yl ester.
Sources
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