- InChI
- InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15?,16?,17?,18?,19?,20-/m0/s1
- InChI Key
- GCKMFJBGXUYNAG-BROHZWGRSA-N
- Formula
- C20H30O2
- SMILES
-
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1
CCC2(C)O - Molecular Weight1
- 302.45
- 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° | 29.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.07 | Crippen Calculated Property | |
| logPoct/wat | 4.269 | Crippen Calculated Property | |
| McVol | 252.360 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Inp | 2685.00 | NIST | |
| Tboil | 860.83 | K | Joback Calculated Property |
| Tc | 1100.51 | K | Joback Calculated Property |
| Tfus | 574.86 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.24; 1084.38] | J/mol×K | [860.83; 1100.51] | 
|
| Cp,gas | 898.24 | J/mol×K | 860.83 | Joback Calculated Property |
| Cp,gas | 925.32 | J/mol×K | 900.78 | Joback Calculated Property |
| Cp,gas | 953.37 | J/mol×K | 940.72 | Joback Calculated Property |
| Cp,gas | 982.85 | J/mol×K | 980.67 | Joback Calculated Property |
| Cp,gas | 1014.21 | J/mol×K | 1020.62 | Joback Calculated Property |
| Cp,gas | 1047.90 | J/mol×K | 1060.56 | Joback Calculated Property |
| Cp,gas | 1084.38 | J/mol×K | 1100.51 | Joback Calculated Property |
Similar Compounds
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Sources
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