- InChI
- InChI=1S/C20H32O/c1-12-5-6-16-13(2)7-10-20(16)11-17(21)19(4)9-8-15(12)18(19)14(20)3/h12-13,15-18,21H,3,5-11H2,1-2,4H3/t12-,13+,15-,16+,17-,18?,19+,20-/m0/s1
- InChI Key
- KCFJHDADOWSHBJ-YNQRBKIGSA-N
- Formula
- C20H32O
- SMILES
-
C=C1C2C3CCC2(C)C(O)CC12CCC(C)C
2CCC3C - Molecular Weight1
- 288.47
- 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.
- 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 | 0.5068 | Relay (1.0) Calculated Property | |
| ΔfG° | 186.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.802 | Crippen Calculated Property | |
| McVol | 250.790 | ml/mol | McGowan Calculated Property |
| Pc | 1667.33 | kPa | Joback Calculated Property |
| Inp | [1558.00; 1564.00] |
|
|
| Inp | 1558.00 | NIST | |
| Inp | 1564.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Tboil | 622.01 | K | Relay (1.0) Calculated Property |
| Tc | 887.89 | K | Relay (1.0) Calculated Property |
| Tfus | 428.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [857.71; 999.20] | J/mol×K | [774.18; 991.11] |
|
| Cp,gas | 857.71 | J/mol×K | 774.18 | Joback Calculated Property |
| Cp,gas | 881.59 | J/mol×K | 810.34 | Joback Calculated Property |
| Cp,gas | 905.00 | J/mol×K | 846.49 | Joback Calculated Property |
| Cp,gas | 928.18 | J/mol×K | 882.65 | Joback Calculated Property |
| Cp,gas | 951.43 | J/mol×K | 918.80 | Joback Calculated Property |
| Cp,gas | 975.01 | J/mol×K | 954.96 | Joback Calculated Property |
| Cp,gas | 999.20 | J/mol×K | 991.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to epi-Longipenol.
Sources
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