- InChI
- InChI=1S/C7H6ClNO/c8-6-3-1-2-4-7(6)9-5-10/h1-5H,(H,9,10)
- InChI Key
- DGRDTMLQUWBPSM-UHFFFAOYSA-N
- Formula
- C7H6ClNO
- SMILES
- O=CNc1ccccc1Cl
- Molecular Weight1
- 155.58
- CAS
- 2596-93-2
- Other Names
-
- Formanilide, 2'-chloro-
- 2'-Chloroformanilide
- 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).
- 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 | 0.4741 | Relay (1.0) Calculated Property | |
| ΔfG° | 88.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 ± 0.10 | eV | NIST |
| log10WS | -1.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.908 | Crippen Calculated Property | |
| McVol | 109.520 | ml/mol | McGowan Calculated Property |
| Pc | 4305.56 | kPa | Joback Calculated Property |
| Tboil | 533.54 | K | Relay (1.0) Calculated Property |
| Tc | 821.60 | K | Relay (1.0) Calculated Property |
| Tfus | 306.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.77; 294.84] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.10543e-15 | |||
| Coefficient B | 5.87900e-01 | |||
| Coefficient C | -3.83160e-04 | |||
| Coefficient D | 9.01000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 133.77 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 164.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 190.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 213.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 233.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 250.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 264.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 276.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 294.84 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Formamide, N-(2-chlorophenyl)-.
Sources
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