- 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
- 198.31
- 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).
- 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 | 0.6377 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.466 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | 1357.00 | NIST | |
| Tboil | 505.42 | K | Relay (1.0) Calculated Property |
| Tc | 698.65 | K | Relay (1.0) Calculated Property |
| Tfus | 226.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.59; 520.75] | J/mol×K | [529.06; 699.05] | 
|
| Cp,gas | 437.59 | J/mol×K | 529.06 | Joback Calculated Property |
| Cp,gas | 453.03 | J/mol×K | 557.39 | Joback Calculated Property |
| Cp,gas | 467.82 | J/mol×K | 585.72 | Joback Calculated Property |
| Cp,gas | 481.98 | J/mol×K | 614.05 | Joback Calculated Property |
| Cp,gas | 495.51 | J/mol×K | 642.38 | Joback Calculated Property |
| Cp,gas | 508.43 | J/mol×K | 670.72 | Joback Calculated Property |
| Cp,gas | 520.75 | J/mol×K | 699.05 | Joback Calculated Property |
| η | [0.0001779; 0.0048712] | Pa×s | [265.57; 529.06] |
|
| η | 0.0048712 | Pa×s | 265.57 | Joback Calculated Property |
| η | 0.0018971 | Pa×s | 309.49 | Joback Calculated Property |
| η | 0.0009340 | Pa×s | 353.40 | Joback Calculated Property |
| η | 0.0005378 | Pa×s | 397.31 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 441.23 | Joback Calculated Property |
| η | 0.0002406 | Pa×s | 485.14 | Joback Calculated Property |
| η | 0.0001779 | Pa×s | 529.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octyl 3-butenoate.
Sources
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