- InChI
- InChI=1S/C20H30O/c1-13(2)15-12-16-14(11-17(15)21)7-8-18-19(3,4)9-6-10-20(16,18)5/h11-13,18,21H,6-10H2,1-5H3/t18?,20-/m1/s1
- InChI Key
- RSIJAQZNHHXEJZ-ROPPNANJSA-N
- Formula
- C20H30O
- SMILES
-
CC(C)c1cc2c(cc1O)CCC1C(C)(C)CC
CC21C - Molecular Weight1
- 286.45
- CAS
- 1857-11-0
- 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° | 132.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 5.546 | Crippen Calculated Property | |
| McVol | 253.050 | ml/mol | McGowan Calculated Property |
| Pc | 1869.17 | kPa | Joback Calculated Property |
| Inp | [2283.00; 2285.00] |
|
|
| Inp | 2283.00 | NIST | |
| Inp | 2283.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Inp | 2283.00 | NIST | |
| Tboil | 791.65 | K | Joback Calculated Property |
| Tc | 1034.71 | K | Joback Calculated Property |
| Tfus | 535.74 | K | Joback Calculated Property |
| Vc | 0.900 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.54; 957.98] | J/mol×K | [791.65; 1034.71] |
|
| Cp,gas | 807.54 | J/mol×K | 791.65 | Joback Calculated Property |
| Cp,gas | 831.05 | J/mol×K | 832.16 | Joback Calculated Property |
| Cp,gas | 854.62 | J/mol×K | 872.67 | Joback Calculated Property |
| Cp,gas | 878.69 | J/mol×K | 913.18 | Joback Calculated Property |
| Cp,gas | 903.66 | J/mol×K | 953.69 | Joback Calculated Property |
| Cp,gas | 929.95 | J/mol×K | 994.20 | Joback Calculated Property |
| Cp,gas | 957.98 | J/mol×K | 1034.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sempervirol.
Sources
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