- InChI
- InChI=1S/C18H24O4/c1-18(22)9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(20)21/h3,5,10,14-16,19,22H,2,4,6-9H2,1H3,(H,20,21)
- InChI Key
- IYPKGDXFMKJBEI-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
CC1(O)CCC2c3ccc(O)cc3CCC2C1CCC
(=O)O - Molecular Weight1
- 304.38
- CAS
- 133372-02-8
- 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).
- 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 | 0.9563 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 163.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.064 | Crippen Calculated Property | |
| McVol | 238.180 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Tboil | 678.52 | K | Relay (1.0) Calculated Property |
| Tc | 985.81 | K | Relay (1.0) Calculated Property |
| Tfus | 430.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.823 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.32; 973.05] | J/mol×K | [974.67; 1200.91] | 
|
| Cp,gas | 846.32 | J/mol×K | 974.67 | Joback Calculated Property |
| Cp,gas | 865.08 | J/mol×K | 1012.38 | Joback Calculated Property |
| Cp,gas | 884.47 | J/mol×K | 1050.08 | Joback Calculated Property |
| Cp,gas | 904.73 | J/mol×K | 1087.79 | Joback Calculated Property |
| Cp,gas | 926.09 | J/mol×K | 1125.50 | Joback Calculated Property |
| Cp,gas | 948.78 | J/mol×K | 1163.21 | Joback Calculated Property |
| Cp,gas | 973.05 | J/mol×K | 1200.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,13Alpha-dihydroxy-13,17-secoestra-1,3,5(10)-trien-17-oic acid.
Sources
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