- InChI
- InChI=1S/C11H18O2/c1-4-10(12)13-9-6-5-7-11(2,3)8-9/h6H,4-5,7-8H2,1-3H3
- InChI Key
- AAJGKOFWDAXFFY-UHFFFAOYSA-N
- Formula
- C11H18O2
- SMILES
- CCC(=O)OC1=CCCC(C)(C)C1
- Molecular Weight1
- 182.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -152.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 3.034 | Crippen Calculated Property | |
| McVol | 158.130 | ml/mol | McGowan Calculated Property |
| Pc | 2611.07 | kPa | Joback Calculated Property |
| Inp | 1360.00 | NIST | |
| Tboil | 551.30 | K | Joback Calculated Property |
| Tc | 764.81 | K | Joback Calculated Property |
| Tfus | 330.45 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.71; 473.80] | J/mol×K | [551.30; 764.81] | 
|
| Cp,gas | 384.71 | J/mol×K | 551.30 | Joback Calculated Property |
| Cp,gas | 401.63 | J/mol×K | 586.89 | Joback Calculated Property |
| Cp,gas | 417.59 | J/mol×K | 622.47 | Joback Calculated Property |
| Cp,gas | 432.70 | J/mol×K | 658.06 | Joback Calculated Property |
| Cp,gas | 447.04 | J/mol×K | 693.64 | Joback Calculated Property |
| Cp,gas | 460.71 | J/mol×K | 729.23 | Joback Calculated Property |
| Cp,gas | 473.80 | J/mol×K | 764.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-dimethylcyclohex-6-en-1-yl propionate.
Sources
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