Chemical Properties of Chlorphenesin carbamate (CAS 886-74-8)

InChI

InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)

InChI Key

SKPLBLUECSEIFO-UHFFFAOYSA-N

Formula

C10H12ClNO4

SMILES

NC(=O)OCC(O)COc1ccc(Cl)cc1

Molecular Weight¹

245.66

CAS

886-74-8

Other Names

• 1,2-Propanediol, 3-(4-chlorophenoxy)-, 1-carbamate
• 1,2-Propanediol, 3-(p-chlorophenoxy)-, 1-carbamate
• Maolate
• U-19,646
• 3-(p-Chlorophenoxy)-2-Hydroxypropyl carbamate
• 3-(4-Chlorophenoxy)-2-hydroxypropyl carbamate
• Carbamic acid, 3-(p-chlorophenoxy)-2-hydroxypropyl ester
• Rinlaxer
• U 19646
• 3-(p-Chlorophenoxy)-1,2-propanediol 1-carbamate
• 3-(4-Chlorophenoxy)-1,2-propanediol-1-carbamate
• NSC 82943
• Chlorphenesin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-287.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-541.15	kJ/mol	Joback Calculated Property
ΔfusH°	29.24	kJ/mol	Joback Calculated Property
ΔvapH°	83.67	kJ/mol	Joback Calculated Property
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	1.175		Crippen Calculated Property
McVol	169.400	ml/mol	McGowan Calculated Property
Pc	3407.89	kPa	Joback Calculated Property
Inp	[1677.00; 1695.00]
Inp	1695.00		NIST
Inp	1677.00		NIST
Tboil	760.27	K	Joback Calculated Property
Tc	972.14	K	Joback Calculated Property
Tfus	494.79	K	Joback Calculated Property
Vc	0.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.89; 498.89]	J/mol×K	[760.27; 972.14]
Cp,gas	451.89	J/mol×K	760.27	Joback Calculated Property
Cp,gas	461.55	J/mol×K	795.58	Joback Calculated Property
Cp,gas	470.47	J/mol×K	830.89	Joback Calculated Property
Cp,gas	478.66	J/mol×K	866.20	Joback Calculated Property
Cp,gas	486.12	J/mol×K	901.51	Joback Calculated Property
Cp,gas	492.87	J/mol×K	936.83	Joback Calculated Property
Cp,gas	498.89	J/mol×K	972.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlorphenesin carbamate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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