- InChI
- InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m0/s1
- InChI Key
- LGHBWDKMGOIZKH-LISAXSMJSA-N
- Formula
- C18H22O
- SMILES
- CC12CCC3c4ccccc4CCC3C1CCC2=O
- Molecular Weight1
- 254.37
- 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).
- 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° | 225.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.63 | Crippen Calculated Property | |
| logPoct/wat | 4.112 | Crippen Calculated Property | |
| McVol | 209.710 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | [2215.00; 2270.00] |
|
|
| Inp | 2215.00 | NIST | |
| Inp | 2270.00 | NIST | |
| Tboil | 735.05 | K | Joback Calculated Property |
| Tc | 993.80 | K | Joback Calculated Property |
| Tfus | 466.22 | K | Joback Calculated Property |
| Vc | 0.794 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.44; 779.44] | J/mol×K | [735.05; 993.80] |
|
| Cp,gas | 654.44 | J/mol×K | 735.05 | Joback Calculated Property |
| Cp,gas | 677.32 | J/mol×K | 778.18 | Joback Calculated Property |
| Cp,gas | 698.99 | J/mol×K | 821.30 | Joback Calculated Property |
| Cp,gas | 719.76 | J/mol×K | 864.43 | Joback Calculated Property |
| Cp,gas | 739.89 | J/mol×K | 907.55 | Joback Calculated Property |
| Cp,gas | 759.69 | J/mol×K | 950.68 | Joback Calculated Property |
| Cp,gas | 779.44 | J/mol×K | 993.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5(10)-Oestratrien-17-one.
Sources
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