- InChI
- InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
- InChI Key
- WGVWLKXZBUVUAM-UHFFFAOYSA-N
- Formula
- C13H18ClNO
- SMILES
- CCCC(C)C(=O)Nc1ccc(C)c(Cl)c1
- Molecular Weight1
- 239.74
- CAS
- 2307-68-8
- Other Names
-
- p-Valerotoluidide, 3'-chloro-2-methyl-
- Chlorpentan
- CMA
- CMMP
- Dutom
- Hortox
- Niagara 4512
- Pentanochlor
- Solan
- Solan (Herbicide)
- Solane
- N-(3-Chlor-methylphenyl)-2-methylpentanamid
- N-(3-Chloro-4-methylphenyl)-2-methylpentanamide
- 3'-Chloro-2-methyl-p-valerotoluidide
- Dakuron
- FMC 4512
- Pentachlore
- (3-Chloro-4-(methylphenyl))-2-methylpentamide
- Pentanochlore
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6240 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.023 | Crippen Calculated Property | |
| McVol | 194.060 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Tboil | 576.01 | K | Relay (1.0) Calculated Property |
| Tc | 826.48 | K | Relay (1.0) Calculated Property |
| Tfus | 355.94 ± 0.20 | K | NIST |
| Vc | 0.685 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.52; 572.27] | J/mol×K | [674.51; 888.72] | 
|
| Cp,gas | 497.52 | J/mol×K | 674.51 | Joback Calculated Property |
| Cp,gas | 512.15 | J/mol×K | 710.21 | Joback Calculated Property |
| Cp,gas | 525.86 | J/mol×K | 745.91 | Joback Calculated Property |
| Cp,gas | 538.69 | J/mol×K | 781.62 | Joback Calculated Property |
| Cp,gas | 550.68 | J/mol×K | 817.32 | Joback Calculated Property |
| Cp,gas | 561.86 | J/mol×K | 853.02 | Joback Calculated Property |
| Cp,gas | 572.27 | J/mol×K | 888.72 | Joback Calculated Property |
| ΔfusH | 16.35 | kJ/mol | 353.20 | NIST |
Similar Compounds
Find more compounds similar to Pentanamide, N-(3-chloro-4-methylphenyl)-2-methyl-.
Sources
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