- InChI
- InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8-/t11-,13+,14?/m1/s1
- InChI Key
- KIQXKOUFPHTUQS-XJYRDZPNSA-N
- Formula
- C15H24O
- SMILES
- CC(=CC1CCC(C)C2CCC(C)=C12)CO
- 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° | 98.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.35 | 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 | 2064.24 | kPa | Joback Calculated Property |
| Inp | [1655.00; 1729.00] |
|
|
| Inp | 1661.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Inp | 1655.00 | NIST | |
| Tboil | 669.56 | K | Joback Calculated Property |
| Tc | 870.07 | K | Joback Calculated Property |
| Tfus | 347.47 | K | Joback Calculated Property |
| Vc | 0.750 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.51; 668.78] | J/mol×K | [669.56; 870.07] |
|
| Cp,gas | 574.51 | J/mol×K | 669.56 | Joback Calculated Property |
| Cp,gas | 592.58 | J/mol×K | 702.98 | Joback Calculated Property |
| Cp,gas | 609.62 | J/mol×K | 736.40 | Joback Calculated Property |
| Cp,gas | 625.71 | J/mol×K | 769.82 | Joback Calculated Property |
| Cp,gas | 640.89 | J/mol×K | 803.24 | Joback Calculated Property |
| Cp,gas | 655.23 | J/mol×K | 836.66 | Joback Calculated Property |
| Cp,gas | 668.78 | J/mol×K | 870.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valerenol.
Sources
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