- InChI
- InChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,9,11-12,16H,4-5,7-8,10H2,1-3H3/t11?,12-,15+/m0/s1
- InChI Key
- MCDRFHDZJOGPFL-WQKBPTQTSA-N
- Formula
- C15H24O
- SMILES
- CC(CO)C1=CC2(C)C(=CCCC2C)CC1
- Molecular Weight1
- 220.35
- 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° | 44.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | [1775.00; 1813.00] |
|
|
| Inp | 1775.00 | NIST | |
| Inp | 1813.00 | NIST | |
| I | 2555.00 | NIST | |
| Tboil | 673.42 | K | Joback Calculated Property |
| Tc | 881.23 | K | Joback Calculated Property |
| Tfus | 376.89 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.73; 667.80] | J/mol×K | [673.42; 881.23] |
|
| Cp,gas | 570.73 | J/mol×K | 673.42 | Joback Calculated Property |
| Cp,gas | 588.67 | J/mol×K | 708.05 | Joback Calculated Property |
| Cp,gas | 605.74 | J/mol×K | 742.69 | Joback Calculated Property |
| Cp,gas | 622.06 | J/mol×K | 777.32 | Joback Calculated Property |
| Cp,gas | 637.76 | J/mol×K | 811.96 | Joback Calculated Property |
| Cp,gas | 652.96 | J/mol×K | 846.59 | Joback Calculated Property |
| Cp,gas | 667.80 | J/mol×K | 881.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isovalencenol.
Sources
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