Chemical Properties of Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl ester

InChI

InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)

InChI Key

ULBXWWGWDPVHAO-UHFFFAOYSA-N

Formula

C11H10ClNO2

SMILES

C#CC(C)OC(=O)Nc1cccc(Cl)c1

Molecular Weight¹

223.66

Other Names

• 1-Butyn-3-yl m-chlorophenylcarbamate
• 1-Methyl-2-propynyl m-chlorocarbanilate
• 1-Methyl-2-propynyl m-chlorophenylcarbamate
• 1-Methylpropynyl 3-chlorophenylcarbamate
• 1-Methylpropynyl ester of 3-chlorophenylcarbamic acid
• 3-Butyn-2-ol, m-chlorocarbanilate
• 3-Butynyl-m-chlorocarbanilate
• 3-Chlorophenylcarbamic acid 1-methylpropynyl ester
• 3-Chlorphenyl-carbamidsaure-butin-(1)-yl(3)-ester
• BICP
• BIPC
• Butyn-1-ol-3-ester of m-chlorophenylcarbamic acid
• Carbanilic acid, m-chloro-, 1-methyl-2-propynyl ester
• Chlorbufame
• Chlorbupham
• Chlorobufam
• Grisemin
• Grisin
• IEM-1-15
• Isobutinyl-N-(3-chlorphenyl)-carbamat

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

Physical Properties

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.56; 461.39]	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			2.24700e+01
Coefficient B			8.50620e-01
Coefficient C			-5.12290e-04
Coefficient D			1.00590e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.56	J/mol×K	273.00	Calculated Property
Cp,gas	263.74	J/mol×K	353.78	Calculated Property
Cp,gas	303.63	J/mol×K	434.56	Calculated Property
Cp,gas	338.54	J/mol×K	515.33	Calculated Property
Cp,gas	368.80	J/mol×K	596.11	Calculated Property
Cp,gas	394.72	J/mol×K	676.89	Calculated Property
Cp,gas	416.62	J/mol×K	757.67	Calculated Property
Cp,gas	434.82	J/mol×K	838.44	Calculated Property
Cp,gas	449.64	J/mol×K	919.22	Calculated Property
Cp,gas	461.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, (3-chlorophenyl)-, 1-methyl-2-propynyl 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
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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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