- InChI
- InChI=1S/C12H16ClNO2/c1-16-11-7-5-10(6-8-11)14-12(15)4-2-3-9-13/h5-8H,2-4,9H2,1H3,(H,14,15)
- InChI Key
- FBJIABNNCRFUEM-UHFFFAOYSA-N
- Formula
- C12H16ClNO2
- SMILES
- COc1ccc(NC(=O)CCCCCl)cc1
- Molecular Weight1
- 241.71
- 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 | 0.7375 | Relay (... Calculated Property | |
| ΔfG° | -3.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.24 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.08 | eV | Relay (... Calculated Property |
| log10WS | -3.24 | Relay (... Calculated Property | |
| logPoct/wat | 3.043 | Crippen Calculated Property | |
| McVol | 185.840 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [2141.00; 2141.00] |
|
|
| Inp | 2141.00 | NIST | |
| Inp | 2141.00 | NIST | |
| Tboil | 610.93 | K | Relay (... Calculated Property |
| Tc | 854.25 | K | Relay (... Calculated Property |
| Tfus | 369.70 | K | Relay (... Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.26; 542.00] | J/mol×K | [669.51; 879.98] |
|
| Cp,gas | 472.26 | J/mol×K | 669.51 | Joback Calculated Property |
| Cp,gas | 485.94 | J/mol×K | 704.59 | Joback Calculated Property |
| Cp,gas | 498.77 | J/mol×K | 739.67 | Joback Calculated Property |
| Cp,gas | 510.76 | J/mol×K | 774.74 | Joback Calculated Property |
| Cp,gas | 521.95 | J/mol×K | 809.82 | Joback Calculated Property |
| Cp,gas | 532.36 | J/mol×K | 844.90 | Joback Calculated Property |
| Cp,gas | 542.00 | J/mol×K | 879.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(4-methoxyphenyl)-5-chloro-.
Sources
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