- InChI
- InChI=1S/C12H20O2/c1-9-7-12(3,4)6-5-11(9)8-14-10(2)13/h5,9H,6-8H2,1-4H3/t9-/m0/s1
- InChI Key
- QHJKSPVTMXZZCA-VIFPVBQESA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OCC1=CCC(C)(C)CC1C
- 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.
- I : 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° | -152.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.39 | kJ/mol | Joback Calculated Property |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 2.932 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | [1283.00; 1283.00] |
|
|
| Inp | 1283.00 | NIST | |
| Inp | 1283.00 | NIST | |
| I | 1634.00 | NIST | |
| Tboil | 569.51 | K | Joback Calculated Property |
| Tc | 779.44 | K | Joback Calculated Property |
| Tfus | 337.48 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.86; 530.36] | J/mol×K | [569.51; 779.44] |
|
| Cp,gas | 434.86 | J/mol×K | 569.51 | Joback Calculated Property |
| Cp,gas | 452.86 | J/mol×K | 604.50 | Joback Calculated Property |
| Cp,gas | 469.91 | J/mol×K | 639.49 | Joback Calculated Property |
| Cp,gas | 486.10 | J/mol×K | 674.48 | Joback Calculated Property |
| Cp,gas | 501.52 | J/mol×K | 709.46 | Joback Calculated Property |
| Cp,gas | 516.24 | J/mol×K | 744.45 | Joback Calculated Property |
| Cp,gas | 530.36 | J/mol×K | 779.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Isocyclolavandulyl acetate.
Sources
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