- InChI
- InChI=1S/C29H48O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,19-20,22-26,30-31H,1,9-18H2,2-6H3/t20?,22-,23?,24+,25?,26?,27-,28+,29?/m1/s1
- InChI Key
- OPGVEUGCNGNPSX-PQCRNTPGSA-N
- Formula
- C29H48O2
- SMILES
-
C=CC(O)(CCC(C)C1CCC2C3CC=C4CC(
O)CCC4(C)C3CCC12C)C(C)C - Molecular Weight1
- 428.69
- 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 | 0.8240 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 159.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.916 | Crippen Calculated Property | |
| McVol | 379.170 | ml/mol | McGowan Calculated Property |
| Pc | 1051.41 | kPa | Joback Calculated Property |
| Inp | 3465.00 | NIST | |
| Tboil | 714.10 | K | Relay (1.0) Calculated Property |
| Tc | 999.93 | K | Relay (1.0) Calculated Property |
| Tfus | 437.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.342 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1525.05; 1797.01] | J/mol×K | [1078.77; 1320.87] | 
|
| Cp,gas | 1525.05 | J/mol×K | 1078.77 | Joback Calculated Property |
| Cp,gas | 1563.30 | J/mol×K | 1119.12 | Joback Calculated Property |
| Cp,gas | 1603.77 | J/mol×K | 1159.47 | Joback Calculated Property |
| Cp,gas | 1646.90 | J/mol×K | 1199.82 | Joback Calculated Property |
| Cp,gas | 1693.18 | J/mol×K | 1240.17 | Joback Calculated Property |
| Cp,gas | 1743.06 | J/mol×K | 1280.52 | Joback Calculated Property |
| Cp,gas | 1797.01 | J/mol×K | 1320.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Saringosterol.
Sources
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