- InChI
- InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
- InChI Key
- WRCHFMBCVFFYEQ-UHFFFAOYSA-N
- Formula
- C17H20ClNO
- SMILES
-
CN(C)CCC(O)(c1ccccc1)c1ccccc1C
l - Molecular Weight1
- 289.80
- CAS
- 791-35-5
- Other Names
-
- Benzenemethanol, 2-chloro-«alpha»-[2-(dimethylamino)ethyl]-«alpha»-phenyl-
- «alpha»-(Dimethylaminoethyl)-o-chlorobenzhydrol
- Benzhydrol, 2-chloro-«alpha»-(2-(dimethylamino)ethyl)-
- Chlofedanol
- Chlophedianol
- Clophedianol base
- Dencyl
- SL 501 base
- Tussistop
- Ulo base
- 2-Chloro-«alpha»-(2-dimethylaminoethyl)benzhydrol
- Calmotusin
- Clofedianolo
- 2-Cloro-«alpha»-(2-dimetilaminoetil)-benzidrolo
- 1-Phenyl-1-(o-chlorophenyl)-3-dimethylaminopropanol
- NSC 113595
- clofedano
- 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 | 0.7402 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -25.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.528 | Crippen Calculated Property | |
| McVol | 230.960 | ml/mol | McGowan Calculated Property |
| Pc | 2202.08 | kPa | Joback Calculated Property |
| Inp | [2070.00; 2105.00] |
|
|
| Inp | 2090.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Inp | Outlier 2105.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Inp | 2090.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Tboil | 622.30 | K | Relay (1.0) Calculated Property |
| Tc | 890.74 | K | Relay (1.0) Calculated Property |
| Tfus | 396.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.823 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.52; 724.55] | J/mol×K | [785.52; 1006.95] |
|
| Cp,gas | 653.52 | J/mol×K | 785.52 | Joback Calculated Property |
| Cp,gas | 667.59 | J/mol×K | 822.43 | Joback Calculated Property |
| Cp,gas | 680.64 | J/mol×K | 859.33 | Joback Calculated Property |
| Cp,gas | 692.75 | J/mol×K | 896.24 | Joback Calculated Property |
| Cp,gas | 704.04 | J/mol×K | 933.14 | Joback Calculated Property |
| Cp,gas | 714.61 | J/mol×K | 970.05 | Joback Calculated Property |
| Cp,gas | 724.55 | J/mol×K | 1006.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clofedanol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.