- InChI
- InChI=1S/C11H22O/c1-9-5-4-7-11(2,3)10(9)6-8-12/h9-10,12H,4-8H2,1-3H3
- InChI Key
- YJLWPLYASZAXJL-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- CC1CCCC(C)(C)C1CCO
- Molecular Weight1
- 170.29
- 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° | -91.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.86 | Crippen Calculated Property | |
| logPoct/wat | 2.831 | Crippen Calculated Property | |
| McVol | 160.860 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [1315.00; 1315.00] |
|
|
| Inp | 1315.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Tboil | 553.71 | K | Joback Calculated Property |
| Tc | 744.17 | K | Joback Calculated Property |
| Tfus | 297.35 | K | Joback Calculated Property |
| Vc | 0.600 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.93; 512.34] | J/mol×K | [553.71; 744.17] |
|
| Cp,gas | 418.93 | J/mol×K | 553.71 | Joback Calculated Property |
| Cp,gas | 436.46 | J/mol×K | 585.45 | Joback Calculated Property |
| Cp,gas | 453.12 | J/mol×K | 617.20 | Joback Calculated Property |
| Cp,gas | 468.96 | J/mol×K | 648.94 | Joback Calculated Property |
| Cp,gas | 484.06 | J/mol×K | 680.68 | Joback Calculated Property |
| Cp,gas | 498.50 | J/mol×K | 712.42 | Joback Calculated Property |
| Cp,gas | 512.34 | J/mol×K | 744.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Cyclohomogeraniol, 3,4-dihydro.
Sources
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