- InChI
- InChI=1S/C12H22O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
- InChI Key
- BXLSKVVHVVMXOV-BQYQJAHWSA-N
- Formula
- C12H22O2
- SMILES
- CCCCC=CCC(=O)OCC(C)C
- Molecular Weight1
- 198.30
- ω : Acentric Factor.
- 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).
- 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 | 0.5583 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.322 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Inp | [1348.00; 1348.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Tboil | 496.11 | K | Relay (1.0) Calculated Property |
| Tc | 666.19 | K | Relay (1.0) Calculated Property |
| Tfus | 201.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.03; 530.02] | J/mol×K | [553.97; 733.78] |
|
| Cp,gas | 446.03 | J/mol×K | 553.97 | Joback Calculated Property |
| Cp,gas | 461.70 | J/mol×K | 583.94 | Joback Calculated Property |
| Cp,gas | 476.67 | J/mol×K | 613.91 | Joback Calculated Property |
| Cp,gas | 490.97 | J/mol×K | 643.87 | Joback Calculated Property |
| Cp,gas | 504.62 | J/mol×K | 673.84 | Joback Calculated Property |
| Cp,gas | 517.63 | J/mol×K | 703.81 | Joback Calculated Property |
| Cp,gas | 530.02 | J/mol×K | 733.78 | Joback Calculated Property |
| η | [0.0001497; 0.0040101] | Pa×s | [277.08; 553.97] |
|
| η | 0.0040101 | Pa×s | 277.08 | Joback Calculated Property |
| η | 0.0015677 | Pa×s | 323.23 | Joback Calculated Property |
| η | 0.0007750 | Pa×s | 369.38 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 415.52 | Joback Calculated Property |
| η | 0.0002890 | Pa×s | 461.67 | Joback Calculated Property |
| η | 0.0002019 | Pa×s | 507.82 | Joback Calculated Property |
| η | 0.0001497 | Pa×s | 553.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octenoic acid, isobutyl ester.
Sources
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