Chemical Properties of Phenol, 2-chloro-4,5-dimethyl-, methylcarbamate

InChI

InChI=1S/C10H12ClNO2/c1-6-4-8(11)9(5-7(6)2)14-10(13)12-3/h4-5H,1-3H3,(H,12,13)

InChI Key

QRTXZGIQTYDABO-UHFFFAOYSA-N

Formula

C10H12ClNO2

SMILES

CNC(=O)Oc1cc(C)c(C)cc1Cl

Molecular Weight¹

213.66

Other Names

• Carbamic acid, methyl-, 6-chloro-3,4-xylyl ester
• Banol
• 3,4-Dimethyl-6-chlorophenyl N-methylcarbamate
• 6-Chloro-3,4-dimethylphenyl N-methylcarbamate
• 6-Chloro-3,4-xylyl methylcarbamate
• Banol tuco sok
• Carbamic acid, methyl-, (2-chloro-4,5-dimethyl)phenyl ester
• Carbamic acid, methyl-, 2-chloro-4,5-xylyl ester
• 2-Chloro-4,5-dimethylphenyl methylcarbamate
• Chloroxylam
• 6-Chloro-3,4-xylenyl N-methylcarbamate
• 2-Chloro-4,5-xylyl N-methylcarbamate
• 6-Chloro-3,4-xylyl N-methylcarbamate
• OMS-174
• SOK
• U 12927
• U-17004
• UPJOHN U-12,927
• 3,4-Xylyl-6-chloro-N-methylcarbamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.94; 460.86]	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			3.98800e+01
Coefficient B			7.24660e-01
Coefficient C			-3.24680e-04
Coefficient D			2.10000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.94	J/mol×K	273.00	Calculated Property
Cp,gas	256.54	J/mol×K	353.78	Calculated Property
Cp,gas	295.20	J/mol×K	434.56	Calculated Property
Cp,gas	329.97	J/mol×K	515.33	Calculated Property
Cp,gas	360.93	J/mol×K	596.11	Calculated Property
Cp,gas	388.15	J/mol×K	676.89	Calculated Property
Cp,gas	411.68	J/mol×K	757.67	Calculated Property
Cp,gas	431.60	J/mol×K	838.44	Calculated Property
Cp,gas	447.97	J/mol×K	919.22	Calculated Property
Cp,gas	460.86	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 2-chloro-4,5-dimethyl-, methylcarbamate.

Sources

• 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
• Crippen Method
• Joback 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. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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