- InChI
- InChI=1S/C12H22O2/c1-4-6-7-8-10-11(3)14-12(13)9-5-2/h8,10-11H,4-7,9H2,1-3H3/b10-8+
- InChI Key
- GMTXHKHXXKDNAQ-CSKARUKUSA-N
- Formula
- C12H22O2
- SMILES
- CCCC/C=C/C(C)OC(=O)CCC
- Molecular Weight1
- 198.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -527.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.25 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.465 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1882.17 | kPa | Joback Calculated Property |
| Inp | 1296.00 | NIST | |
| Tboil | 460.46 | K | Relay (1.0) Calculated Property |
| Tc | 661.06 | K | Relay (1.0) Calculated Property |
| Tfus | 198.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.37; 524.72] | J/mol×K | [536.10; 713.30] | 
|
| Cp,gas | 439.37 | J/mol×K | 536.10 | Joback Calculated Property |
| Cp,gas | 455.34 | J/mol×K | 565.63 | Joback Calculated Property |
| Cp,gas | 470.59 | J/mol×K | 595.17 | Joback Calculated Property |
| Cp,gas | 485.14 | J/mol×K | 624.70 | Joback Calculated Property |
| Cp,gas | 498.99 | J/mol×K | 654.23 | Joback Calculated Property |
| Cp,gas | 512.18 | J/mol×K | 683.77 | Joback Calculated Property |
| Cp,gas | 524.72 | J/mol×K | 713.30 | Joback Calculated Property |
| η | [0.0001381; 0.0076842] | Pa×s | [247.25; 536.10] |
|
| η | 0.0076842 | Pa×s | 247.25 | Joback Calculated Property |
| η | 0.0022787 | Pa×s | 295.39 | Joback Calculated Property |
| η | 0.0009500 | Pa×s | 343.53 | Joback Calculated Property |
| η | 0.0004911 | Pa×s | 391.67 | Joback Calculated Property |
| η | 0.0002933 | Pa×s | 439.82 | Joback Calculated Property |
| η | 0.0001940 | Pa×s | 487.96 | Joback Calculated Property |
| η | 0.0001381 | Pa×s | 536.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, oct-3-en-2-yl ester.
Sources
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