- InChI
- InChI=1S/C12H14ClNO/c13-10-6-3-7-11(8-10)14-12(15)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H,14,15)
- InChI Key
- YOKCBEZMIXZJTA-UHFFFAOYSA-N
- Formula
- C12H14ClNO
- SMILES
- O=C(Nc1cccc(Cl)c1)C1CCCC1
- Molecular Weight1
- 223.70
- 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 | 0.5446 | Relay (... Calculated Property | |
| ΔfG° | 138.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.12 | kJ/mol | Relay (... Calculated Property |
| IE | 8.42 | eV | Relay (... Calculated Property |
| log10WS | -3.83 | Relay (... Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 169.110 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | 1976.00 | NIST | |
| Tboil | 597.29 | K | Relay (... Calculated Property |
| Tc | 871.95 | K | Relay (... Calculated Property |
| Tfus | 354.93 | K | Relay (... Calculated Property |
| Vc | 0.591 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.28; 513.36] | J/mol×K | [662.37; 904.65] | 
|
| Cp,gas | 435.28 | J/mol×K | 662.37 | Joback Calculated Property |
| Cp,gas | 451.20 | J/mol×K | 702.75 | Joback Calculated Property |
| Cp,gas | 465.87 | J/mol×K | 743.13 | Joback Calculated Property |
| Cp,gas | 479.35 | J/mol×K | 783.51 | Joback Calculated Property |
| Cp,gas | 491.71 | J/mol×K | 823.89 | Joback Calculated Property |
| Cp,gas | 503.02 | J/mol×K | 864.27 | Joback Calculated Property |
| Cp,gas | 513.36 | J/mol×K | 904.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxamide, N-(3-chlorophenyl)-.
Sources
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