- InChI
- InChI=1S/C15H24O/c1-10-13-5-4-12(9-16)15(13)7-6-11(8-15)14(10,2)3/h11-13,16H,1,4-9H2,2-3H3/t11-,12-,13-,15+/m0/s1
- InChI Key
- OOYRHNIVDZZGQV-PWNZVWSESA-N
- Formula
- C15H24O
- SMILES
- C=C1C2CCC(CO)C23CCC(C3)C1(C)C
- 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.
- 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° | 123.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.387 | Crippen Calculated Property | |
| McVol | 191.200 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | [1623.00; 1626.00] |
|
|
| Inp | 1623.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Tboil | 653.84 | K | Joback Calculated Property |
| Tc | 861.60 | K | Joback Calculated Property |
| Tfus | 419.41 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.73; 677.76] | J/mol×K | [653.84; 861.60] |
|
| Cp,gas | 573.73 | J/mol×K | 653.84 | Joback Calculated Property |
| Cp,gas | 592.34 | J/mol×K | 688.47 | Joback Calculated Property |
| Cp,gas | 610.14 | J/mol×K | 723.09 | Joback Calculated Property |
| Cp,gas | 627.34 | J/mol×K | 757.72 | Joback Calculated Property |
| Cp,gas | 644.19 | J/mol×K | 792.34 | Joback Calculated Property |
| Cp,gas | 660.92 | J/mol×K | 826.97 | Joback Calculated Property |
| Cp,gas | 677.76 | J/mol×K | 861.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valerianol (Khusunol).
Sources
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