- InChI
- InChI=1S/C12H22O2/c1-3-5-7-8-9-10-12(13)14-11-6-4-2/h9-10H,3-8,11H2,1-2H3/b10-9+
- InChI Key
- JACBBOONWJFMBB-MDZDMXLPSA-N
- Formula
- C12H22O2
- SMILES
- CCCCC/C=C/C(=O)OCCCC
- Molecular Weight1
- 198.31
- 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).
- 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 | 0.6406 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Tboil | 504.56 | K | Relay (1.0) Calculated Property |
| Tc | 699.69 | K | Relay (1.0) Calculated Property |
| Tfus | 215.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.687 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.12; 522.79] | J/mol×K | [536.54; 710.41] | 
|
| Cp,gas | 439.12 | J/mol×K | 536.54 | Joback Calculated Property |
| Cp,gas | 454.73 | J/mol×K | 565.52 | Joback Calculated Property |
| Cp,gas | 469.65 | J/mol×K | 594.50 | Joback Calculated Property |
| Cp,gas | 483.90 | J/mol×K | 623.48 | Joback Calculated Property |
| Cp,gas | 497.50 | J/mol×K | 652.45 | Joback Calculated Property |
| Cp,gas | 510.45 | J/mol×K | 681.43 | Joback Calculated Property |
| Cp,gas | 522.79 | J/mol×K | 710.41 | Joback Calculated Property |
| η | [0.0001468; 0.0049647] | Pa×s | [262.25; 536.54] |
|
| η | 0.0049647 | Pa×s | 262.25 | Joback Calculated Property |
| η | 0.0017859 | Pa×s | 307.96 | Joback Calculated Property |
| η | 0.0008368 | Pa×s | 353.68 | Joback Calculated Property |
| η | 0.0004664 | Pa×s | 399.39 | Joback Calculated Property |
| η | 0.0002931 | Pa×s | 445.11 | Joback Calculated Property |
| η | 0.0002008 | Pa×s | 490.82 | Joback Calculated Property |
| η | 0.0001468 | Pa×s | 536.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl trans-2-octenoate.
Sources
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