- InChI
- InChI=1S/C11H20O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
- InChI Key
- XZRLQJUPTGFIPZ-AATRIKPKSA-N
- Formula
- C11H20O2
- SMILES
- CCC=CCCCOC(=O)CCC
- Molecular Weight1
- 184.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -111.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.19 | 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 | 2111.94 | kPa | Joback Calculated Property |
| Inp | [1188.00; 1189.00] |
|
|
| Inp | 1188.00 | NIST | |
| Inp | 1189.00 | NIST | |
| Tboil | 531.53 | K | Joback Calculated Property |
| Tc | 709.61 | K | Joback Calculated Property |
| Tfus | 280.81 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.35; 475.98] | J/mol×K | [531.53; 709.61] |
|
| Cp,gas | 397.35 | J/mol×K | 531.53 | Joback Calculated Property |
| Cp,gas | 411.96 | J/mol×K | 561.21 | Joback Calculated Property |
| Cp,gas | 425.95 | J/mol×K | 590.89 | Joback Calculated Property |
| Cp,gas | 439.33 | J/mol×K | 620.57 | Joback Calculated Property |
| Cp,gas | 452.12 | J/mol×K | 650.25 | Joback Calculated Property |
| Cp,gas | 464.33 | J/mol×K | 679.93 | Joback Calculated Property |
| Cp,gas | 475.98 | J/mol×K | 709.61 | Joback Calculated Property |
| η | [0.0001740; 0.0029775] | Pa×s | [280.81; 531.53] |
|
| η | 0.0029775 | Pa×s | 280.81 | Joback Calculated Property |
| η | 0.0013650 | Pa×s | 322.60 | Joback Calculated Property |
| η | 0.0007484 | Pa×s | 364.38 | Joback Calculated Property |
| η | 0.0004643 | Pa×s | 406.17 | Joback Calculated Property |
| η | 0.0003149 | Pa×s | 447.96 | Joback Calculated Property |
| η | 0.0002282 | Pa×s | 489.74 | Joback Calculated Property |
| η | 0.0001740 | Pa×s | 531.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-4-Hepten-1-yl butanoate.
Sources
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