- InChI
- InChI=1S/C12H20O2/c1-8(13)14-10-5-9-6-12(10,4)7-11(9,2)3/h9-10H,5-7H2,1-4H3
- InChI Key
- LHDGZUJXYWVZNA-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OC1CC2CC1(C)CC2(C)C
- Molecular Weight1
- 196.29
- 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° | -100.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.764 | Crippen Calculated Property | |
| McVol | 165.660 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | 1236.00 | NIST | |
| Tboil | 559.14 | K | Joback Calculated Property |
| Tc | 774.82 | K | Joback Calculated Property |
| Tfus | 368.84 | K | Joback Calculated Property |
| Vc | 0.631 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.90; 536.18] | J/mol×K | [559.14; 774.82] | 
|
| Cp,gas | 437.90 | J/mol×K | 559.14 | Joback Calculated Property |
| Cp,gas | 456.54 | J/mol×K | 595.09 | Joback Calculated Property |
| Cp,gas | 474.00 | J/mol×K | 631.03 | Joback Calculated Property |
| Cp,gas | 490.47 | J/mol×K | 666.98 | Joback Calculated Property |
| Cp,gas | 506.18 | J/mol×K | 702.93 | Joback Calculated Property |
| Cp,gas | 521.34 | J/mol×K | 738.88 | Joback Calculated Property |
| Cp,gas | 536.18 | J/mol×K | 774.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isofenchyl acetate.
Sources
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