- InChI
- InChI=1S/C12H22O2/c1-10(2)8-6-5-7-9-14-12(13)11(3)4/h6,8,10-11H,5,7,9H2,1-4H3/b8-6+
- InChI Key
- JDRFSFLYVBOTAT-SOFGYWHQSA-N
- Formula
- C12H22O2
- SMILES
- CC(C)C=CCCCOC(=O)C(C)C
- Molecular Weight1
- 198.30
- CAS
- 1215128-03-2
- ω : Acentric Factor.
- 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).
- 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 | 0.5470 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -544.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.90 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.178 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1895.30 | kPa | Joback Calculated Property |
| Inp | [1293.20; 1293.20] |
|
|
| Inp | 1293.20 | NIST | |
| Inp | 1293.20 | NIST | |
| Tboil | 472.46 | K | Relay (1.0) Calculated Property |
| Tc | 662.89 | K | Relay (1.0) Calculated Property |
| Tfus | 215.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [439.62; 526.70] | J/mol×K | [535.66; 716.32] |
|
| Cp,gas | 439.62 | J/mol×K | 535.66 | Joback Calculated Property |
| Cp,gas | 455.97 | J/mol×K | 565.77 | Joback Calculated Property |
| Cp,gas | 471.55 | J/mol×K | 595.88 | Joback Calculated Property |
| Cp,gas | 486.40 | J/mol×K | 625.99 | Joback Calculated Property |
| Cp,gas | 500.53 | J/mol×K | 656.10 | Joback Calculated Property |
| Cp,gas | 513.95 | J/mol×K | 686.21 | Joback Calculated Property |
| Cp,gas | 526.70 | J/mol×K | 716.32 | Joback Calculated Property |
| η | [0.0001300; 0.0128037] | Pa×s | [232.25; 535.66] |
|
| η | 0.0128037 | Pa×s | 232.25 | Joback Calculated Property |
| η | 0.0030068 | Pa×s | 282.82 | Joback Calculated Property |
| η | 0.0010959 | Pa×s | 333.39 | Joback Calculated Property |
| η | 0.0005210 | Pa×s | 383.96 | Joback Calculated Property |
| η | 0.0002945 | Pa×s | 434.52 | Joback Calculated Property |
| η | 0.0001875 | Pa×s | 485.09 | Joback Calculated Property |
| η | 0.0001300 | Pa×s | 535.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methylhept-4-en-1-yl isobutyrate.
Sources
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