- InChI
- InChI=1S/C4H8Cl3N/c1-8(2)3-4(5,6)7/h3H2,1-2H3
- InChI Key
- UBTRQFXCMOCQLN-UHFFFAOYSA-N
- Formula
- C4H8Cl3N
- SMILES
- CN(C)CC(Cl)(Cl)Cl
- Molecular Weight1
- 176.47
- CAS
- 36726-94-0
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 912.80 | kJ/mol | NIST |
| BasG | 882.00 | kJ/mol | NIST |
| ΔfG° | 60.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.63 | Crippen Calculated Property | |
| logPoct/wat | 1.918 | Crippen Calculated Property | |
| McVol | 113.920 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Tboil | 412.42 | K | Joback Calculated Property |
| Tc | 613.56 | K | Joback Calculated Property |
| Tfus | 259.49 | K | Joback Calculated Property |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.83; 240.82] | J/mol×K | [412.42; 613.56] | 
|
| Cp,gas | 192.83 | J/mol×K | 412.42 | Joback Calculated Property |
| Cp,gas | 202.43 | J/mol×K | 445.94 | Joback Calculated Property |
| Cp,gas | 211.34 | J/mol×K | 479.47 | Joback Calculated Property |
| Cp,gas | 219.59 | J/mol×K | 512.99 | Joback Calculated Property |
| Cp,gas | 227.23 | J/mol×K | 546.51 | Joback Calculated Property |
| Cp,gas | 234.29 | J/mol×K | 580.03 | Joback Calculated Property |
| Cp,gas | 240.82 | J/mol×K | 613.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to CCl3CH2N(CH3)2.
Sources
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