- InChI
- InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)
- InChI Key
- PUIYMUZLKQOUOZ-UHFFFAOYSA-N
- Formula
- C12H18N2O
- SMILES
- CC(C)c1ccc(NC(=O)N(C)C)cc1
- Molecular Weight1
- 206.28
- CAS
- 34123-59-6
- Other Names
-
- 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea
- 3-(4-Isopropylphenyl)-1,1-dimethylurea
- Alon
- Arelon
- Arelon R
- Belgran
- CGA-18731
- CL 12150
- DPX 6774
- Graminon
- HOE 16410
- Hytane 500L
- IP 50
- IP-Flo
- IPU Stefes
- N'-(4-Isopropylphenyl)-N,N-dimethylurea
- N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]urea
- N-(4-Isopropylphenyl)-N',N'-dimethylharnstoff
- N-(4-Isopropylphenyl)-N',N'-dimethylurea
- N-4-Isopropylphenyl-N,N-dimethylurea
- Nocilon
- Protugan
- Tolkan
- Tolken
- Urea, 1,1-dimethyl-3-(p-isopropylphenyl)-
- Urea, 3-p-cumenyl-1,1-dimethyl-
- Urea, N,N-dimethyl-N'-[4-(1-methylethyl)phenyl]-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 |
|---|---|---|---|
| ΔfH°gas | -184.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.74 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.54; -3.52] |
|
|
| log10WS | -3.52 | Aq. Solubility Prediction | |
| log10WS | -3.54 | Estimated Solubility | |
| logPoct/wat | 2.904 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2571.50 | kPa | Joback Calculated Property |
| Tboil | 564.97 | K | Relay (1.0) Calculated Property |
| Tc | 828.74 | K | Relay (1.0) Calculated Property |
| Tfus | 430.81 ± 0.20 | K | NIST |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [21.33; 33.87] | kJ/mol | [427.40; 430.40] |
|
| ΔfusH | 21.33 | kJ/mol | 427.40 | NIST |
| ΔfusH | 33.87 | kJ/mol | 430.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [237.64; 581.33] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.38500e+01 | |||
| Coefficient B | 1.18348e+00 | |||
| Coefficient C | -7.38860e-04 | |||
| Coefficient D | 1.70560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 237.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 299.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 354.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 403.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 445.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 481.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 512.87 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 539.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 562.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 581.33 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Isoproturon.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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