Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester

InChI

InChI=1S/C17H21ClO4/c1-3-21-16(19)13-6-4-5-7-14(13)17(20)22-12-8-9-15(18)11(2)10-12/h8-10,13-14H,3-7H2,1-2H3

InChI Key

DSGYJPIHUBWYTG-UHFFFAOYSA-N

Formula

C17H21ClO4

SMILES

CCOC(=O)C1CCCCC1C(=O)Oc1ccc(Cl)c(C)c1

Molecular Weight¹

324.80

• 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°	-277.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-651.98	kJ/mol	Joback Calculated Property
ΔfusH°	35.73	kJ/mol	Joback Calculated Property
ΔvapH°	79.85	kJ/mol	Joback Calculated Property
log10WS	-4.57		Crippen Calculated Property
logPoct/wat	3.923		Crippen Calculated Property
McVol	242.890	ml/mol	McGowan Calculated Property
Pc	1854.71	kPa	Joback Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST
Tboil	829.89	K	Joback Calculated Property
Tc	1059.65	K	Joback Calculated Property
Tfus	510.19	K	Joback Calculated Property
Vc	0.908	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.07; 800.57]	J/mol×K	[829.89; 1059.65]
Cp,gas	728.07	J/mol×K	829.89	Joback Calculated Property
Cp,gas	743.84	J/mol×K	868.18	Joback Calculated Property
Cp,gas	758.13	J/mol×K	906.48	Joback Calculated Property
Cp,gas	770.93	J/mol×K	944.77	Joback Calculated Property
Cp,gas	782.26	J/mol×K	983.07	Joback Calculated Property
Cp,gas	792.14	J/mol×K	1021.36	Joback Calculated Property
Cp,gas	800.57	J/mol×K	1059.65	Joback Calculated Property
η	[0.0000974; 0.0007076]	Pa×s	[510.19; 829.89]
η	0.0007076	Pa×s	510.19	Joback Calculated Property
η	0.0004349	Pa×s	563.47	Joback Calculated Property
η	0.0002907	Pa×s	616.76	Joback Calculated Property
η	0.0002072	Pa×s	670.04	Joback Calculated Property
η	0.0001552	Pa×s	723.32	Joback Calculated Property
η	0.0001210	Pa×s	776.61	Joback Calculated Property
η	0.0000974	Pa×s	829.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl ethyl ester.

Sources

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

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