- InChI
- InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15?,16-,17+,19-,20?/m1/s1
- InChI Key
- DQUHDYWUEKWRLN-VYCOEXPQSA-N
- Formula
- C20H32
- SMILES
-
CC1=CC23CCC4C(C)(C)CCCC4(C)C2C
CC1C3 - Molecular Weight1
- 272.47
- CAS
- 511-85-3
- Other Names
-
- Phylloclad-15-ene
- (+)-Isophyllocladene
- Isophyllocladen
- Isophyllocladene
- Isophyllocladene, (+)-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3822 | Relay (... Calculated Property | |
| ΔfG° | 300.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.27 | eV | Relay (... Calculated Property |
| log10WS | -6.68 | Relay (... Calculated Property | |
| logPoct/wat | 5.975 | Crippen Calculated Property | |
| McVol | 244.920 | ml/mol | McGowan Calculated Property |
| Pc | 1696.30 | kPa | Joback Calculated Property |
| Inp | [1946.00; 2006.00] |
|
|
| Inp | 1946.00 | NIST | |
| Inp | 1974.00 | NIST | |
| Inp | 1948.00 | NIST | |
| Inp | Outlier 2006.00 | NIST | |
| Inp | 1966.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Inp | 1960.00 | NIST | |
| Inp | 1963.00 | NIST | |
| Inp | 1967.00 | NIST | |
| Inp | 1967.00 | NIST | |
| Inp | 1967.00 | NIST | |
| Inp | 1966.00 | NIST | |
| I | [2238.00; 2277.00] |
|
|
| I | 2238.00 | NIST | |
| I | 2277.00 | NIST | |
| I | 2238.00 | NIST | |
| Tboil | 596.67 | K | Relay (... Calculated Property |
| Tc | 854.44 | K | Relay (... Calculated Property |
| Tfus | 352.67 | K | Relay (... Calculated Property |
| Vc | 0.892 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.83; 931.90] | J/mol×K | [696.56; 939.38] |
|
| Cp,gas | 769.83 | J/mol×K | 696.56 | Joback Calculated Property |
| Cp,gas | 797.09 | J/mol×K | 737.03 | Joback Calculated Property |
| Cp,gas | 823.56 | J/mol×K | 777.50 | Joback Calculated Property |
| Cp,gas | 849.75 | J/mol×K | 817.97 | Joback Calculated Property |
| Cp,gas | 876.18 | J/mol×K | 858.44 | Joback Calculated Property |
| Cp,gas | 903.39 | J/mol×K | 898.91 | Joback Calculated Property |
| Cp,gas | 931.90 | J/mol×K | 939.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Kaur-15-ene, (5«alpha»,9«alpha»,10«beta»)-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.