- InChI
- InChI=1S/C21H26O3/c1-3-20(23)24-14-5-7-15-13(12-14)4-6-17-16(15)10-11-21(2)18(17)8-9-19(21)22/h5,7,12,16-18H,3-4,6,8-11H2,1-2H3
- InChI Key
- ROFBJLDRYQWJFI-UHFFFAOYSA-N
- Formula
- C21H26O3
- SMILES
-
CCC(=O)Oc1ccc2c(c1)CCC1C2CCC2(
C)C(=O)CCC12 - Molecular Weight1
- 326.43
- CAS
- 975-64-4
- Other Names
-
- Estrone, propionate
- 3-(1-Oxypropoxy)-estra-1,3,5(10)-trien-17-one
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | 7.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -444.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.427 | Crippen Calculated Property | |
| McVol | 259.420 | ml/mol | McGowan Calculated Property |
| Pc | 1736.11 | kPa | Joback Calculated Property |
| Inp | 2442.00 | NIST | |
| Tboil | 884.96 | K | Joback Calculated Property |
| Tc | 1130.24 | K | Joback Calculated Property |
| Tfus | 584.71 | K | Joback Calculated Property |
| Vc | 0.987 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.21; 1007.35] | J/mol×K | [884.96; 1130.24] | 
|
| Cp,gas | 882.21 | J/mol×K | 884.96 | Joback Calculated Property |
| Cp,gas | 903.76 | J/mol×K | 925.84 | Joback Calculated Property |
| Cp,gas | 924.73 | J/mol×K | 966.72 | Joback Calculated Property |
| Cp,gas | 945.36 | J/mol×K | 1007.60 | Joback Calculated Property |
| Cp,gas | 965.85 | J/mol×K | 1048.48 | Joback Calculated Property |
| Cp,gas | 986.44 | J/mol×K | 1089.36 | Joback Calculated Property |
| Cp,gas | 1007.35 | J/mol×K | 1130.24 | Joback Calculated Property |
| ΔfusH | 23.00 | kJ/mol | 409.00 | NIST |
Similar Compounds
Find more compounds similar to 3-(Pronanoyloxy)-estra-1,3,5(10)-trien-17-one.
Sources
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