- InChI
- InChI=1S/C11H16ClN3/c1-14(2)11(15(3)4)13-10-7-5-6-9(12)8-10/h5-8H,1-4H3
- InChI Key
- HTWSZTOHUHTGSF-UHFFFAOYSA-N
- Formula
- C11H16ClN3
- SMILES
- CN(C)C(=Nc1cccc(Cl)c1)N(C)C
- Molecular Weight1
- 225.72
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5675 | Relay (1.0) Calculated Property | |
| ΔfG° | 385.51 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 135.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 67.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.451 | Crippen Calculated Property | |
| McVol | 179.970 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Inp | [1722.00; 1722.00] |
|
|
| Inp | 1722.00 | NIST | |
| Inp | 1722.00 | NIST | |
| Tboil | 557.04 | K | Relay (1.0) Calculated Property |
| Tc | 783.25 | K | Relay (1.0) Calculated Property |
| Tfus | 317.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N''-(3-chloro-phenyl)-N,N,N',N'-tetramethyl -guanidine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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