- InChI
- InChI=1S/C15H21ClN2O/c16-11-12-17-14(19)18-15(9-5-2-6-10-15)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H2,17,18,19)
- InChI Key
- UMHWXFAYDQMFBR-UHFFFAOYSA-N
- Formula
- C15H21ClN2O
- SMILES
- O=C(NCCCl)NC1(c2ccccc2)CCCCC1
- Molecular Weight1
- 280.79
- CAS
- 13908-23-1
- 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 | 0.6591 | Relay (1.0) Calculated Property | |
| ΔfG° | 244.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -229.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.384 | Crippen Calculated Property | |
| McVol | 221.360 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Tboil | 625.06 | K | Relay (1.0) Calculated Property |
| Tc | 925.06 | K | Relay (1.0) Calculated Property |
| Tfus | 382.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.05; 746.13] | J/mol×K | [780.71; 1020.59] | 
|
| Cp,gas | 649.05 | J/mol×K | 780.71 | Joback Calculated Property |
| Cp,gas | 666.58 | J/mol×K | 820.69 | Joback Calculated Property |
| Cp,gas | 683.31 | J/mol×K | 860.67 | Joback Calculated Property |
| Cp,gas | 699.42 | J/mol×K | 900.65 | Joback Calculated Property |
| Cp,gas | 715.13 | J/mol×K | 940.63 | Joback Calculated Property |
| Cp,gas | 730.64 | J/mol×K | 980.61 | Joback Calculated Property |
| Cp,gas | 746.13 | J/mol×K | 1020.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-(2-chloroethyl)-n'-(1-phenylcyclohexyl)urea.
Sources
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