- InChI
- InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
- InChI Key
- OGYFATSSENRIKG-UHFFFAOYSA-N
- Formula
- C19H21ClN2O
- SMILES
-
O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)
C1CCCC1 - Molecular Weight1
- 328.84
- CAS
- 66063-05-6
- Other Names
-
- 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
- Bay NTN 19701
- Monceren
- N-((4-Chlorophenyl)methyl)-N-cyclopentyl-N'-phenylurea
- Trotis
- Urea, N-[(4-chlorophenyl)methyl]-N-cyclopentyl-N'-phenyl-
- [(Chlorophenyl)-methyl]-N-cyclopentyl-N'-phenylurea
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 420.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.97 | kJ/mol | Joback Calculated Property |
| log10WS | [-5.92; -5.91] |
|
|
| log10WS | -5.91 | Aq. Sol... | |
| log10WS | -5.92 | Estimat... | |
| logPoct/wat | 5.317 | Crippen Calculated Property | |
| McVol | 253.960 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [1690.00; 1690.00] |
|
|
| Inp | 1690.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Tboil | 861.65 | K | Joback Calculated Property |
| Tc | 1109.11 | K | Joback Calculated Property |
| Tfus | 545.13 | K | Joback Calculated Property |
| Vc | 0.932 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.17; 844.03] | J/mol×K | [861.65; 1109.11] |
|
| Cp,gas | 767.17 | J/mol×K | 861.65 | Joback Calculated Property |
| Cp,gas | 782.97 | J/mol×K | 902.89 | Joback Calculated Property |
| Cp,gas | 797.39 | J/mol×K | 944.14 | Joback Calculated Property |
| Cp,gas | 810.57 | J/mol×K | 985.38 | Joback Calculated Property |
| Cp,gas | 822.64 | J/mol×K | 1026.62 | Joback Calculated Property |
| Cp,gas | 833.75 | J/mol×K | 1067.86 | Joback Calculated Property |
| Cp,gas | 844.03 | J/mol×K | 1109.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pencycuron.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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