- InChI
- InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h4H,2-3,5-11H2,1H3
- InChI Key
- KRVDAHHBHTUQPL-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=CCC(=O)OCCCCCCCC
- Molecular Weight1
- 198.30
- 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° | -95.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | 1357.00 | NIST | |
| Tboil | 546.93 | K | Joback Calculated Property |
| Tc | 719.58 | K | Joback Calculated Property |
| Tfus | 295.40 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.34; 526.24] | J/mol×K | [546.93; 719.58] | 
|
| Cp,gas | 444.34 | J/mol×K | 546.93 | Joback Calculated Property |
| Cp,gas | 459.51 | J/mol×K | 575.71 | Joback Calculated Property |
| Cp,gas | 474.05 | J/mol×K | 604.48 | Joback Calculated Property |
| Cp,gas | 487.98 | J/mol×K | 633.26 | Joback Calculated Property |
| Cp,gas | 501.31 | J/mol×K | 662.03 | Joback Calculated Property |
| Cp,gas | 514.06 | J/mol×K | 690.81 | Joback Calculated Property |
| Cp,gas | 526.24 | J/mol×K | 719.58 | Joback Calculated Property |
| η | [0.0001931; 0.0029144] | Pa×s | [295.40; 546.93] |
|
| η | 0.0029144 | Pa×s | 295.40 | Joback Calculated Property |
| η | 0.0013996 | Pa×s | 337.32 | Joback Calculated Property |
| η | 0.0007904 | Pa×s | 379.24 | Joback Calculated Property |
| η | 0.0005002 | Pa×s | 421.17 | Joback Calculated Property |
| η | 0.0003439 | Pa×s | 463.09 | Joback Calculated Property |
| η | 0.0002516 | Pa×s | 505.01 | Joback Calculated Property |
| η | 0.0001931 | Pa×s | 546.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octyl 3-butenoate.
Sources
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