- InChI
- InChI=1S/C20H34O2/c1-7-18(4)11-8-15-19(5)12-10-16(21)17(2,3)14(19)9-13-20(15,6)22-18/h7,14-16,21H,1,8-13H2,2-6H3/t14?,15-,16+,18?,19+,20-/m0/s1
- InChI Key
- JJZSRKRSWWPWCJ-MUAWJZPLSA-N
- Formula
- C20H34O2
- SMILES
-
C=CC1(C)CCC2C(C)(CCC3C(C)(C)C(
O)CCC23C)O1 - Molecular Weight1
- 306.48
- 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 | 0.5338 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -487.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.714 | Crippen Calculated Property | |
| McVol | 267.520 | ml/mol | McGowan Calculated Property |
| Pc | 1665.97 | kPa | Joback Calculated Property |
| Inp | [2271.00; 2271.00] |
|
|
| Inp | 2271.00 | NIST | |
| Inp | 2271.00 | NIST | |
| Tboil | 623.71 | K | Relay (1.0) Calculated Property |
| Tc | 874.11 | K | Relay (1.0) Calculated Property |
| Tfus | 379.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [906.29; 1084.31] | J/mol×K | [796.66; 1020.68] |
|
| Cp,gas | 906.29 | J/mol×K | 796.66 | Joback Calculated Property |
| Cp,gas | 932.72 | J/mol×K | 834.00 | Joback Calculated Property |
| Cp,gas | 959.84 | J/mol×K | 871.33 | Joback Calculated Property |
| Cp,gas | 988.09 | J/mol×K | 908.67 | Joback Calculated Property |
| Cp,gas | 1017.95 | J/mol×K | 946.01 | Joback Calculated Property |
| Cp,gas | 1049.87 | J/mol×K | 983.35 | Joback Calculated Property |
| Cp,gas | 1084.31 | J/mol×K | 1020.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3«beta»-hydroxy-manoyl oxide isomer.
Sources
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