- InChI
- InChI=1S/C17H12ClNO/c18-13-7-4-8-14(11-13)19-17(20)16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,20)
- InChI Key
- MROMMCULOKJDLK-UHFFFAOYSA-N
- Formula
- C17H12ClNO
- SMILES
-
O=C(Nc1cccc(Cl)c1)c1cccc2ccccc
12 - Molecular Weight1
- 281.74
- 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 | 0.6590 | Relay (1.0) Calculated Property | |
| ΔfG° | 353.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 51.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.745 | Crippen Calculated Property | |
| McVol | 207.200 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [2658.00; 2658.00] |
|
|
| Inp | 2658.00 | NIST | |
| Inp | 2658.00 | NIST | |
| Tboil | 684.70 | K | Relay (1.0) Calculated Property |
| Tc | 1047.08 | K | Relay (1.0) Calculated Property |
| Tfus | 434.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.738 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.08; 611.10] | J/mol×K | [812.13; 1071.62] |
|
| Cp,gas | 549.08 | J/mol×K | 812.13 | Joback Calculated Property |
| Cp,gas | 561.65 | J/mol×K | 855.38 | Joback Calculated Property |
| Cp,gas | 573.14 | J/mol×K | 898.63 | Joback Calculated Property |
| Cp,gas | 583.69 | J/mol×K | 941.87 | Joback Calculated Property |
| Cp,gas | 593.45 | J/mol×K | 985.12 | Joback Calculated Property |
| Cp,gas | 602.53 | J/mol×K | 1028.37 | Joback Calculated Property |
| Cp,gas | 611.10 | J/mol×K | 1071.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthalenecarboxamide, N-(3-chlorophenyl)-.
Sources
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