Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isobutyl ester

InChI

InChI=1S/C18H22Cl2O4/c1-11(2)10-23-17(21)13-5-3-4-6-14(13)18(22)24-16-9-12(19)7-8-15(16)20/h7-9,11,13-14H,3-6,10H2,1-2H3

InChI Key

PRZLLEOYJKKUJN-UHFFFAOYSA-N

Formula

C18H22Cl2O4

SMILES

CC(C)COC(=O)C1CCCCC1C(=O)Oc1cc(Cl)ccc1Cl

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°	-283.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-693.64	kJ/mol	Joback Calculated Property
ΔfusH°	38.99	kJ/mol	Joback Calculated Property
ΔvapH°	86.08	kJ/mol	Joback Calculated Property
log10WS	-5.37		Crippen Calculated Property
logPoct/wat	4.904		Crippen Calculated Property
McVol	269.220	ml/mol	McGowan Calculated Property
Pc	1670.06	kPa	Joback Calculated Property
Inp	[2485.00; 2485.00]
Inp	2485.00		NIST
Inp	2485.00		NIST
Tboil	889.76	K	Joback Calculated Property
Tc	1122.99	K	Joback Calculated Property
Tfus	536.38	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[810.82; 873.12]	J/mol×K	[889.76; 1122.99]
Cp,gas	810.82	J/mol×K	889.76	Joback Calculated Property
Cp,gas	825.10	J/mol×K	928.63	Joback Calculated Property
Cp,gas	837.80	J/mol×K	967.50	Joback Calculated Property
Cp,gas	848.93	J/mol×K	1006.37	Joback Calculated Property
Cp,gas	858.52	J/mol×K	1045.25	Joback Calculated Property
Cp,gas	866.57	J/mol×K	1084.12	Joback Calculated Property
Cp,gas	873.12	J/mol×K	1122.99	Joback Calculated Property
η	[0.0000679; 0.0005947]	Pa×s	[536.38; 889.76]
η	0.0005947	Pa×s	536.38	Joback Calculated Property
η	0.0003464	Pa×s	595.28	Joback Calculated Property
η	0.0002224	Pa×s	654.17	Joback Calculated Property
η	0.0001536	Pa×s	713.07	Joback Calculated Property
η	0.0001123	Pa×s	771.97	Joback Calculated Property
η	0.0000858	Pa×s	830.86	Joback Calculated Property
η	0.0000679	Pa×s	889.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl isobutyl ester.

Sources

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

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