- InChI
- InChI=1S/C14H20ClNO/c1-3-4-5-7-11(2)16-14(17)12-8-6-9-13(15)10-12/h6,8-11H,3-5,7H2,1-2H3,(H,16,17)
- InChI Key
- KFYLNOODNSMBNA-UHFFFAOYSA-N
- Formula
- C14H20ClNO
- SMILES
- CCCCCC(C)NC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 253.77
- 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 | 0.6677 | Relay (... Calculated Property | |
| ΔfG° | 115.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.19 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.91 | kJ/mol | Relay (... Calculated Property |
| IE | 8.69 | eV | Relay (... Calculated Property |
| log10WS | -4.88 | Relay (... Calculated Property | |
| logPoct/wat | 4.039 | Crippen Calculated Property | |
| McVol | 208.150 | ml/mol | McGowan Calculated Property |
| Pc | 2068.00 | kPa | Joback Calculated Property |
| Inp | [2016.00; 2016.00] |
|
|
| Inp | 2016.00 | NIST | |
| Inp | 2016.00 | NIST | |
| Tboil | 589.31 | K | Relay (... Calculated Property |
| Tc | 818.14 | K | Relay (... Calculated Property |
| Tfus | 308.75 | K | Relay (... Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.72; 628.46] | J/mol×K | [692.41; 902.61] |
|
| Cp,gas | 550.72 | J/mol×K | 692.41 | Joback Calculated Property |
| Cp,gas | 565.95 | J/mol×K | 727.44 | Joback Calculated Property |
| Cp,gas | 580.21 | J/mol×K | 762.48 | Joback Calculated Property |
| Cp,gas | 593.55 | J/mol×K | 797.51 | Joback Calculated Property |
| Cp,gas | 606.01 | J/mol×K | 832.54 | Joback Calculated Property |
| Cp,gas | 617.63 | J/mol×K | 867.57 | Joback Calculated Property |
| Cp,gas | 628.46 | J/mol×K | 902.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-N-(hept-2-yl)-.
Sources
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