- InChI
- InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
- InChI Key
- CWJSHJJYOPWUGX-UHFFFAOYSA-N
- Formula
- C10H12ClNO2
- SMILES
- CC(C)OC(=O)Nc1cccc(Cl)c1
- Molecular Weight1
- 213.66
- Other Names
-
- (3-Chlorophenyl)carbamic acid, 1-methylethyl ester
- 3-Chlorocarbanilic acid, isopropyl ester
- Beet-Kleen
- Bygran
- CI-IPC
- CIPC
- Carbamic acid, N-(3-chlorophenyl)-, 1-methylethyl ester
- Carbanilic acid, m-chloro-, isopropyl ester
- Chlor IFC
- Chlor IFK
- ChlorIPC
- Chloro-IFK
- Chloro-IPC
- Chloropham
- Chloropropham
- Chlorpropham
- Chlorprophame
- Cl-IFK
- ENT 18,060
- Elbanil
- Fasco WY-HOE
- Furloe
- Furloe 3 EC
- Isopropyl 3-chlorocarbanilate
- Isopropyl 3-chlorophenylcarbamate
- Isopropyl N-(3-chlorophenyl)carbamate
- Isopropyl N-(m-chlorophenyl)carbamate
- Isopropyl N-chlorophenylcarbamate
- Isopropyl chlorocarbanilate
- Isopropyl m-chlorocarbanilate
- Jack Wilson chloro 51(oil)
- Keim-Stop
- Liro CIPC
- Metoxon
- Mirvale
- N-(3-Chloor-fenyl)-isopropyl carbamaat
- N-(3-Chlor-phenyl)-isopropyl-carbamat
- N-(3-Chloro phenyl)carbamate d'isopropyle
- N-(3-Chlorophenyl)carbamic acid, isopropyl ester
- N-(3-Chlorophenyl)isopropyl carbamate
- N-(3-Cloro-fenil)-isopropil-carbammato
- Nexoval
- Prevenol 56
- Preventol
- Preventol 56
- Preweed
- Sprout Nip
- Spud-Nic
- Spud-Nie
- Stopgerme-S
- Taterpex
- Triherbicide CIPC
- Y 3
- m-Chlorocarbanilic acid isopropyl ester
- propan-2-yl N-(3-chlorophenyl)carbamate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 25.45 | kJ/mol | Joback Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.38; -3.38] |
|
|
| log10WS | -3.38 | Aq. Solubility Prediction | |
| log10WS | -3.38 | Estimated Solubility | |
| logPoct/wat | 3.297 | Crippen Calculated Property | |
| McVol | 157.660 | ml/mol | McGowan Calculated Property |
| Inp | [1613.00; 1664.00] |
|
|
| Inp | 1626.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Inp | 1661.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1613.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Ip | 2643.00 | NIST | |
| Tboil | 536.49 | K | Relay (1.0) Calculated Property |
| Tfus | [314.15; 315.70] | K |
|
| Tfus | 314.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 315.00 ± 0.20 | K | NIST |
| Tfus | 315.70 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 422.20 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.53; 467.48] | 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 | 9.60000e+00 | |||
| Coefficient B | 8.49540e-01 | |||
| Coefficient C | -4.61960e-04 | |||
| Coefficient D | 7.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 255.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 297.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 334.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 366.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 394.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 418.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 454.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 467.48 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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