- InChI
- InChI=1S/C14H12ClNO2/c1-18-13-8-6-12(7-9-13)16-14(17)10-2-4-11(15)5-3-10/h2-9H,1H3,(H,16,17)
- InChI Key
- UVGPQLMHIRNFEE-UHFFFAOYSA-N
- Formula
- C14H12ClNO2
- SMILES
- COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
- Molecular Weight1
- 261.70
- CAS
- 4018-82-0
- Other Names
-
- Benzamide, N-(4-methoxyphenyl)-4-chloro-
- 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 | 0.6809 | Relay (1.0) Calculated Property | |
| ΔfG° | 116.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -161.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.601 | Crippen Calculated Property | |
| McVol | 190.260 | ml/mol | McGowan Calculated Property |
| Pc | 2746.90 | kPa | Joback Calculated Property |
| Inp | 2387.00 | NIST | |
| Tboil | 649.80 | K | Relay (1.0) Calculated Property |
| Tc | 936.17 | K | Relay (1.0) Calculated Property |
| Tfus | 429.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.675 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.90; 549.51] | J/mol×K | [746.93; 990.75] | 
|
| Cp,gas | 487.90 | J/mol×K | 746.93 | Joback Calculated Property |
| Cp,gas | 500.83 | J/mol×K | 787.57 | Joback Calculated Property |
| Cp,gas | 512.63 | J/mol×K | 828.20 | Joback Calculated Property |
| Cp,gas | 523.35 | J/mol×K | 868.84 | Joback Calculated Property |
| Cp,gas | 533.05 | J/mol×K | 909.47 | Joback Calculated Property |
| Cp,gas | 541.75 | J/mol×K | 950.11 | Joback Calculated Property |
| Cp,gas | 549.51 | J/mol×K | 990.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzenamide, N-(4-methoxyphenyl)-.
Sources
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