- InChI
- InChI=1S/C20H20ClNO3/c1-14(23)22(3)13-12-18(19-6-4-5-7-20(19)21)16-8-10-17(11-9-16)25-15(2)24/h4-12H,13H2,1-3H3/b18-12+
- InChI Key
- KEKMPBIVPTVWBR-LDADJPATSA-N
- Formula
- C20H20ClNO3
- SMILES
-
CC(=O)Oc1ccc(C(=CCN(C)C(C)=O)c
2ccccc2Cl)cc1 - Molecular Weight1
- 357.83
- 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° | 130.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.36 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 4.175 | Crippen Calculated Property | |
| McVol | 272.070 | ml/mol | McGowan Calculated Property |
| Pc | 1766.90 | kPa | Joback Calculated Property |
| Inp | [2800.00; 2800.00] |
|
|
| Inp | 2800.00 | NIST | |
| Inp | 2800.00 | NIST | |
| Tboil | 904.39 | K | Joback Calculated Property |
| Tc | 1140.20 | K | Joback Calculated Property |
| Tfus | 558.48 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.77; 854.42] | J/mol×K | [904.39; 1140.20] |
|
| Cp,gas | 789.77 | J/mol×K | 904.39 | Joback Calculated Property |
| Cp,gas | 802.97 | J/mol×K | 943.69 | Joback Calculated Property |
| Cp,gas | 815.08 | J/mol×K | 982.99 | Joback Calculated Property |
| Cp,gas | 826.19 | J/mol×K | 1022.30 | Joback Calculated Property |
| Cp,gas | 836.38 | J/mol×K | 1061.60 | Joback Calculated Property |
| Cp,gas | 845.77 | J/mol×K | 1100.90 | Joback Calculated Property |
| Cp,gas | 854.42 | J/mol×K | 1140.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clofedanol N (nor, OH, -H2O), acetylated.
Sources
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