- InChI
- InChI=1S/C18H29Cl2N/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-12-13-17(19)18(20)15-16/h12-13,15,21H,2-11,14H2,1H3
- InChI Key
- FBLLQVUJLWZRRG-UHFFFAOYSA-N
- Formula
- C18H29Cl2N
- SMILES
- CCCCCCCCCCCCNc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 330.34
- CAS
- 116436-28-3
- 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).
- 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 | 0.8668 | Relay (1.0) Calculated Property | |
| ΔfG° | 259.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -222.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.326 | Crippen Calculated Property | |
| McVol | 275.180 | ml/mol | McGowan Calculated Property |
| Pc | 1365.67 | kPa | Joback Calculated Property |
| Tboil | 639.31 | K | Relay (1.0) Calculated Property |
| Tc | 874.40 | K | Relay (1.0) Calculated Property |
| Tfus | 326.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.023 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.84; 866.33] | J/mol×K | [772.91; 970.38] | 
|
| Cp,gas | 779.84 | J/mol×K | 772.91 | Joback Calculated Property |
| Cp,gas | 796.50 | J/mol×K | 805.82 | Joback Calculated Property |
| Cp,gas | 812.20 | J/mol×K | 838.73 | Joback Calculated Property |
| Cp,gas | 826.99 | J/mol×K | 871.65 | Joback Calculated Property |
| Cp,gas | 840.91 | J/mol×K | 904.56 | Joback Calculated Property |
| Cp,gas | 854.01 | J/mol×K | 937.47 | Joback Calculated Property |
| Cp,gas | 866.33 | J/mol×K | 970.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichloro-n-dodecylaniline.
Sources
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