- InChI
- InChI=1S/C21H36O/c1-16(12-15-22-6)10-13-20(4)18(3)11-14-21(5)17(2)8-7-9-19(20)21/h8,12,18-19H,7,9-11,13-15H2,1-6H3/b16-12+/t18-,19-,20+,21+/m1/s1
- InChI Key
- YAJBRZZIZBUICV-COIMSNGRSA-N
- Formula
- C21H36O
- SMILES
-
COCC=C(C)CCC1(C)C(C)CCC2(C)C(C
)=CCCC21 - Molecular Weight1
- 304.51
- 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° | 159.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.23 | Crippen Calculated Property | |
| logPoct/wat | 6.158 | Crippen Calculated Property | |
| McVol | 282.300 | ml/mol | McGowan Calculated Property |
| Pc | 1285.59 | kPa | Joback Calculated Property |
| Inp | 2050.00 | NIST | |
| Tboil | 732.18 | K | Joback Calculated Property |
| Tc | 944.77 | K | Joback Calculated Property |
| Tfus | 404.02 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [871.61; 1013.68] | J/mol×K | [732.18; 944.77] | 
|
| Cp,gas | 871.61 | J/mol×K | 732.18 | Joback Calculated Property |
| Cp,gas | 896.49 | J/mol×K | 767.61 | Joback Calculated Property |
| Cp,gas | 920.60 | J/mol×K | 803.04 | Joback Calculated Property |
| Cp,gas | 944.15 | J/mol×K | 838.47 | Joback Calculated Property |
| Cp,gas | 967.36 | J/mol×K | 873.90 | Joback Calculated Property |
| Cp,gas | 990.47 | J/mol×K | 909.33 | Joback Calculated Property |
| Cp,gas | 1013.68 | J/mol×K | 944.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Kolavelool (2 epimers).
Sources
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