Chemical Properties of Swep (CAS 1918-18-9)

InChI

InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)

InChI Key

WOZQBERUBLYCEG-UHFFFAOYSA-N

Formula

C8H7Cl2NO

SMILES

COC(=O)Nc1ccc(Cl)c(Cl)c1

Molecular Weight¹

204.05

CAS

1918-18-9

Other Names

• 3,4-Dichlorocarbanilic acid methyl ester
• 3,4-Dichlorophenylcarbamic acid methyl ester
• Carbamic acid, (3,4-dichlorophenyl)-, methyl ester
• Carbanilic acid, 3,4-dichloro-, methyl ester
• FMC 2995
• MCC
• Methyl 3,4-dichlorocarbanilate
• Methyl 3,4-dichlorophenylcarbamate
• Methyl N-(3,4-dichlorophenyl)carbamate
• Methylester kyseliny 3,4-dichlorkarbanilove
• NIA 2,995
• NIA 2995J

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	27.60	kJ/mol	Joback Calculated Property
log10WS	-3.75		Relay (1.0) Calculated Property
logPoct/wat	3.172		Crippen Calculated Property
McVol	141.720	ml/mol	McGowan Calculated Property
Inp	[1688.00; 1688.00]
Inp	1688.00		NIST
Inp	1688.00		NIST
Ip	2947.00		NIST
Tfus	382.70 ± 0.20	K	NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[23.19; 23.19]	kJ/mol	[381.40; 381.40]
ΔfusH	23.19	kJ/mol	381.40	NIST
ΔfusH	23.19	kJ/mol	381.40	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.37; 368.99]	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			4.02900e+01
Coefficient B			6.00920e-01
Coefficient C			-3.03320e-04
Coefficient D			3.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.37	J/mol×K	273.00	Calculated Property
Cp,gas	216.30	J/mol×K	353.78	Calculated Property
Cp,gas	246.70	J/mol×K	434.56	Calculated Property
Cp,gas	273.67	J/mol×K	515.33	Calculated Property
Cp,gas	297.31	J/mol×K	596.11	Calculated Property
Cp,gas	317.72	J/mol×K	676.89	Calculated Property
Cp,gas	334.99	J/mol×K	757.67	Calculated Property
Cp,gas	349.23	J/mol×K	838.44	Calculated Property
Cp,gas	360.53	J/mol×K	919.22	Calculated Property
Cp,gas	368.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Swep.

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

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