![Methanone, [5-chloro-2-[(cyclopropylmethyl)amino]phenyl]phenyl-](/cid/118-829-1/Methanone-5-chloro-2-cyclopropylmethyl-amino-phenyl-phenyl.png "Methanone, [5-chloro-2-[(cyclopropylmethyl)amino]phenyl]phenyl-")
- InChI
- InChI=1S/C17H16ClNO/c18-14-8-9-16(19-11-12-6-7-12)15(10-14)17(20)13-4-2-1-3-5-13/h1-5,8-10,12,19H,6-7,11H2
- InChI Key
- WCRKZICZCPHVAB-UHFFFAOYSA-N
- Formula
- C17H16ClNO
- SMILES
-
O=C(c1ccccc1)c1cc(Cl)ccc1NCC1C
C1 - Molecular Weight1
- 285.77
- CAS
- 2897-00-9
- Other Names
-
- 2-(Cyclopropyl-methyl)amino-5-chlor-benzophenone
- 2-[(Cyclopropylmethyl)amino]-5-chlorobenzophenone
- Benzophenone, 2-cyclopropylmethylamino-5-chloro
- Benzophenone, 5-chloro-2-cyclopropylmethylamino
- 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 | 0.6720 | Relay (1.0) Calculated Property | |
| ΔfG° | 307.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.393 | Crippen Calculated Property | |
| McVol | 215.800 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Inp | [2349.00; 2410.00] |
|
|
| Inp | 2349.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Inp | 2398.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2407.00 | NIST | |
| Inp | 2410.00 | NIST | |
| Inp | 2349.00 | NIST | |
| Tboil | 661.88 | K | Relay (1.0) Calculated Property |
| Tc | 954.83 | K | Relay (1.0) Calculated Property |
| Tfus | 366.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.770 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.07; 678.84] | J/mol×K | [799.89; 1047.48] |
|
| Cp,gas | 606.07 | J/mol×K | 799.89 | Joback Calculated Property |
| Cp,gas | 620.65 | J/mol×K | 841.16 | Joback Calculated Property |
| Cp,gas | 634.08 | J/mol×K | 882.42 | Joback Calculated Property |
| Cp,gas | 646.48 | J/mol×K | 923.69 | Joback Calculated Property |
| Cp,gas | 657.99 | J/mol×K | 964.95 | Joback Calculated Property |
| Cp,gas | 668.74 | J/mol×K | 1006.22 | Joback Calculated Property |
| Cp,gas | 678.84 | J/mol×K | 1047.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methanone, [5-chloro-2-[(cyclopropylmethyl)amino]phenyl]phenyl-.
Sources
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