- InChI
- InChI=1S/C11H13Cl2NO/c12-7-2-1-6-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,1-2,6-7H2,(H,14,15)
- InChI Key
- GYILROAJGQKZID-UHFFFAOYSA-N
- Formula
- C11H13Cl2NO
- SMILES
- O=C(CCCCCl)Nc1cccc(Cl)c1
- Molecular Weight1
- 246.13
- 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 | 0.6673 | Relay (... Calculated Property | |
| ΔfG° | 81.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.78 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.76 | eV | Relay (... Calculated Property |
| log10WS | -3.77 | Relay (... Calculated Property | |
| logPoct/wat | 3.688 | Crippen Calculated Property | |
| McVol | 178.120 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| Inp | 2095.00 | NIST | |
| Tboil | 592.00 | K | Relay (... Calculated Property |
| Tc | 863.67 | K | Relay (... Calculated Property |
| Tfus | 343.18 | K | Relay (... Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.14; 484.32] | J/mol×K | [661.64; 881.30] | 
|
| Cp,gas | 422.14 | J/mol×K | 661.64 | Joback Calculated Property |
| Cp,gas | 434.49 | J/mol×K | 698.25 | Joback Calculated Property |
| Cp,gas | 445.99 | J/mol×K | 734.86 | Joback Calculated Property |
| Cp,gas | 456.68 | J/mol×K | 771.47 | Joback Calculated Property |
| Cp,gas | 466.60 | J/mol×K | 808.08 | Joback Calculated Property |
| Cp,gas | 475.80 | J/mol×K | 844.69 | Joback Calculated Property |
| Cp,gas | 484.32 | J/mol×K | 881.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N-(3-chlorophenyl)-5-chloro-.
Sources
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