- InChI
- InChI=1S/C19H22O3/c1-19-9-8-15-14-5-3-13(22-11-20)10-12(14)2-4-16(15)17(19)6-7-18(19)21/h3,5,10-11,15-17H,2,4,6-9H2,1H3
- InChI Key
- GOZPPZIYUYYOIF-UHFFFAOYSA-N
- Formula
- C19H22O3
- SMILES
-
CC12CCC3c4ccc(OC=O)cc4CCC3C1CC
C2=O - Molecular Weight1
- 298.38
- 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 | 0.6302 | Relay (... Calculated Property | |
| ΔfG° | 19.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -427.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.23 | kJ/mol | Relay (... Calculated Property |
| IE | 8.27 | eV | Relay (... Calculated Property |
| log10WS | -5.04 | Relay (... Calculated Property | |
| logPoct/wat | 3.647 | Crippen Calculated Property | |
| McVol | 231.240 | ml/mol | McGowan Calculated Property |
| Pc | 2071.76 | kPa | Joback Calculated Property |
| Inp | 2359.00 | NIST | |
| Tboil | 662.58 | K | Relay (... Calculated Property |
| Tc | 946.54 | K | Relay (... Calculated Property |
| Tfus | 419.69 | K | Relay (... Calculated Property |
| Vc | 0.814 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.43; 878.71] | J/mol×K | [833.99; 1083.50] | 
|
| Cp,gas | 761.43 | J/mol×K | 833.99 | Joback Calculated Property |
| Cp,gas | 781.95 | J/mol×K | 875.58 | Joback Calculated Property |
| Cp,gas | 801.79 | J/mol×K | 917.16 | Joback Calculated Property |
| Cp,gas | 821.15 | J/mol×K | 958.75 | Joback Calculated Property |
| Cp,gas | 840.27 | J/mol×K | 1000.33 | Joback Calculated Property |
| Cp,gas | 859.38 | J/mol×K | 1041.92 | Joback Calculated Property |
| Cp,gas | 878.71 | J/mol×K | 1083.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Estrone, formate.
Sources
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