- InChI
- InChI=1S/C18H18ClNO/c1-14(21)20(2)13-12-16(15-8-4-3-5-9-15)17-10-6-7-11-18(17)19/h3-12H,13H2,1-2H3/b16-12+
- InChI Key
- NVHQZWIRBQIPIF-FOWTUZBSSA-N
- Formula
- C18H18ClNO
- SMILES
-
CC(=O)N(C)CC=C(c1ccccc1)c1cccc
c1Cl - Molecular Weight1
- 299.80
- 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° | 357.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.72 | Crippen Calculated Property | |
| logPoct/wat | 4.250 | Crippen Calculated Property | |
| McVol | 236.450 | ml/mol | McGowan Calculated Property |
| Pc | 2032.72 | kPa | Joback Calculated Property |
| Inp | 2400.00 | NIST | |
| Tboil | 777.36 | K | Joback Calculated Property |
| Tc | 1016.82 | K | Joback Calculated Property |
| Tfus | 451.26 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.00; 716.72] | J/mol×K | [777.36; 1016.82] | 
|
| Cp,gas | 640.00 | J/mol×K | 777.36 | Joback Calculated Property |
| Cp,gas | 655.39 | J/mol×K | 817.27 | Joback Calculated Property |
| Cp,gas | 669.58 | J/mol×K | 857.18 | Joback Calculated Property |
| Cp,gas | 682.69 | J/mol×K | 897.09 | Joback Calculated Property |
| Cp,gas | 694.83 | J/mol×K | 937.00 | Joback Calculated Property |
| Cp,gas | 706.14 | J/mol×K | 976.91 | Joback Calculated Property |
| Cp,gas | 716.72 | J/mol×K | 1016.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clofedanol M (nor, -H2O), acetylated.
Sources
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