- InChI
- InChI=1S/C19H20ClNO2/c1-14(22)23-16-10-8-15(9-11-16)17(12-13-21(2)3)18-6-4-5-7-19(18)20/h4-12H,13H2,1-3H3/b17-12+
- InChI Key
- BMZFAEYMUILLJM-SFQUDFHCSA-N
- Formula
- C19H20ClNO2
- SMILES
-
CC(=O)Oc1ccc(C(=CCN(C)C)c2cccc
c2Cl)cc1 - Molecular Weight1
- 329.82
- 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° | 251.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -70.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.259 | Crippen Calculated Property | |
| McVol | 256.410 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | [2370.00; 2370.00] |
|
|
| Inp | 2370.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Tboil | 827.64 | K | Joback Calculated Property |
| Tc | 1061.00 | K | Joback Calculated Property |
| Tfus | 497.28 | K | Joback Calculated Property |
| Vc | 0.956 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.43; 795.47] | J/mol×K | [827.64; 1061.00] |
|
| Cp,gas | 721.43 | J/mol×K | 827.64 | Joback Calculated Property |
| Cp,gas | 736.37 | J/mol×K | 866.53 | Joback Calculated Property |
| Cp,gas | 750.16 | J/mol×K | 905.43 | Joback Calculated Property |
| Cp,gas | 762.88 | J/mol×K | 944.32 | Joback Calculated Property |
| Cp,gas | 774.61 | J/mol×K | 983.21 | Joback Calculated Property |
| Cp,gas | 785.44 | J/mol×K | 1022.11 | Joback Calculated Property |
| Cp,gas | 795.47 | J/mol×K | 1061.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clofedanol M (OH, -H2O), acetylated.
Sources
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