- InChI
- InChI=1S/C17H18ClN/c1-19(2)13-12-15(14-8-4-3-5-9-14)16-10-6-7-11-17(16)18/h3-12H,13H2,1-2H3/b15-12+
- InChI Key
- HCMDSXUJKIHBAB-NTCAYCPXSA-N
- Formula
- C17H18ClN
- SMILES
- CN(C)CC=C(c1ccccc1)c1ccccc1Cl
- Molecular Weight1
- 271.79
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5017 | Relay (1.0) Calculated Property | |
| ΔfG° | 477.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 228.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.333 | Crippen Calculated Property | |
| McVol | 220.790 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | [2085.00; 2085.00] |
|
|
| Inp | 2085.00 | NIST | |
| Inp | 2085.00 | NIST | |
| Tboil | 628.69 | K | Relay (1.0) Calculated Property |
| Tc | 864.81 | K | Relay (1.0) Calculated Property |
| Tfus | 361.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.74; 655.32] | J/mol×K | [700.61; 939.56] |
|
| Cp,gas | 569.74 | J/mol×K | 700.61 | Joback Calculated Property |
| Cp,gas | 586.94 | J/mol×K | 740.44 | Joback Calculated Property |
| Cp,gas | 602.81 | J/mol×K | 780.26 | Joback Calculated Property |
| Cp,gas | 617.47 | J/mol×K | 820.09 | Joback Calculated Property |
| Cp,gas | 631.03 | J/mol×K | 859.91 | Joback Calculated Property |
| Cp,gas | 643.61 | J/mol×K | 899.74 | Joback Calculated Property |
| Cp,gas | 655.32 | J/mol×K | 939.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clofedanol M (-H2O), acetylated.
Sources
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