- InChI
- InChI=1S/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-18H,3,5,7-10H2,1-2H3/t16-,17-,18+,20+/m0/s1
- InChI Key
- KDPQTPZDVJHMET-PNYFIKQUSA-N
- Formula
- C20H24O3
- SMILES
-
CC(=O)Oc1ccc2c(c1)CCC1C2CCC2(C
)C(=O)CCC12 - Molecular Weight1
- 312.40
- CAS
- 901-93-9
- Other Names
-
- Estrone, acetate
- Estrone 3-acetate
- Hogival
- Oestrone-3-acetate
- 3-Acetoxyestrone
- 3-Acetoxyestrone R
- 3-Hydroxyestra-1,3,5(10)-17-one acetate
- 3Beta-acetoxyestra-1,3,5(10)-trien-17-one
- 3-(Acetyloxy)-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° | -0.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 4.037 | Crippen Calculated Property | |
| McVol | 245.330 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| Inp | [2397.00; 2397.00] |
|
|
| Inp | 2397.00 | NIST | |
| Inp | 2397.00 | NIST | |
| Tboil | 862.08 | K | Joback Calculated Property |
| Tc | 1111.39 | K | Joback Calculated Property |
| Tfus | 573.44 | K | Joback Calculated Property |
| Vc | 0.930 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.63; 943.84] | J/mol×K | [862.08; 1111.39] |
|
| Cp,gas | 821.63 | J/mol×K | 862.08 | Joback Calculated Property |
| Cp,gas | 842.84 | J/mol×K | 903.63 | Joback Calculated Property |
| Cp,gas | 863.41 | J/mol×K | 945.18 | Joback Calculated Property |
| Cp,gas | 883.57 | J/mol×K | 986.73 | Joback Calculated Property |
| Cp,gas | 903.54 | J/mol×K | 1028.29 | Joback Calculated Property |
| Cp,gas | 923.55 | J/mol×K | 1069.84 | Joback Calculated Property |
| Cp,gas | 943.84 | J/mol×K | 1111.39 | Joback Calculated Property |
| ΔfusH | 15.00 | kJ/mol | 399.00 | NIST |
Similar Compounds
Find more compounds similar to Estra-1,3,5(10)-trien-17-one, 3-(acetyloxy)-.
Sources
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