Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 2,3-dichlorophenyl ester

InChI

InChI=1S/C18H22Cl2O4/c1-2-3-11-23-17(21)12-7-4-5-8-13(12)18(22)24-15-10-6-9-14(19)16(15)20/h6,9-10,12-13H,2-5,7-8,11H2,1H3

InChI Key

UWFRKKNUPXASQX-UHFFFAOYSA-N

Formula

C18H22Cl2O4

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

373.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-281.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-688.36	kJ/mol	Joback Calculated Property
ΔfusH°	42.51	kJ/mol	Joback Calculated Property
ΔvapH°	86.46	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	5.048		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Pc	1659.19	kPa	Joback Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	890.20	K	Joback Calculated Property
Tc	1120.39	K	Joback Calculated Property
Tfus	551.38	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[810.29; 872.49]	J/mol×K	[890.20; 1120.39]
Cp,gas	810.29	J/mol×K	890.20	Joback Calculated Property
Cp,gas	824.42	J/mol×K	928.56	Joback Calculated Property
Cp,gas	837.02	J/mol×K	966.93	Joback Calculated Property
Cp,gas	848.11	J/mol×K	1005.29	Joback Calculated Property
Cp,gas	857.71	J/mol×K	1043.66	Joback Calculated Property
Cp,gas	865.83	J/mol×K	1082.02	Joback Calculated Property
Cp,gas	872.49	J/mol×K	1120.39	Joback Calculated Property
η	[0.0000743; 0.0005472]	Pa×s	[551.38; 890.20]
η	0.0005472	Pa×s	551.38	Joback Calculated Property
η	0.0003362	Pa×s	607.85	Joback Calculated Property
η	0.0002243	Pa×s	664.32	Joback Calculated Property
η	0.0001595	Pa×s	720.79	Joback Calculated Property
η	0.0001192	Pa×s	777.26	Joback Calculated Property
η	0.0000926	Pa×s	833.73	Joback Calculated Property
η	0.0000743	Pa×s	890.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2,3-dichlorophenyl ester.

Sources

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

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