- InChI
- InChI=1S/C13H17ClN2O/c14-7-8-15-13(17)16-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H2,15,16,17)
- InChI Key
- UPQTWUWCCQECCM-UHFFFAOYSA-N
- Formula
- C13H17ClN2O
- SMILES
- O=C(NCCCl)Nc1ccc2c(c1)CCCC2
- Molecular Weight1
- 252.74
- CAS
- 13908-56-0
- 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 | 0.7473 | Relay (... Calculated Property | |
| ΔfG° | 246.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -242.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.70 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -4.62 | Relay (... Calculated Property | |
| logPoct/wat | 2.926 | Crippen Calculated Property | |
| McVol | 193.180 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Tboil | 627.56 | K | Relay (... Calculated Property |
| Tc | 948.80 | K | Relay (... Calculated Property |
| Tfus | 396.76 | K | Relay (... Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.91; 603.97] | J/mol×K | [740.80; 969.58] | 
|
| Cp,gas | 532.91 | J/mol×K | 740.80 | Joback Calculated Property |
| Cp,gas | 547.06 | J/mol×K | 778.93 | Joback Calculated Property |
| Cp,gas | 560.18 | J/mol×K | 817.06 | Joback Calculated Property |
| Cp,gas | 572.35 | J/mol×K | 855.19 | Joback Calculated Property |
| Cp,gas | 583.65 | J/mol×K | 893.32 | Joback Calculated Property |
| Cp,gas | 594.16 | J/mol×K | 931.45 | Joback Calculated Property |
| Cp,gas | 603.97 | J/mol×K | 969.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Urea, 1-(2-chloroethyl)-3-(5,6,7,8-tetrahydro-2-naphthyl)-.
Sources
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