Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl ethyl ester

InChI

InChI=1S/C17H27ClO4/c1-2-21-16(19)13-8-4-5-9-14(13)17(20)22-11-12-7-3-6-10-15(12)18/h12-15H,2-11H2,1H3

InChI Key

SGYFWXNKKCRNJO-UHFFFAOYSA-N

Formula

C17H27ClO4

SMILES

CCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1Cl

Molecular Weight¹

330.85

• 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°	-354.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-831.59	kJ/mol	Joback Calculated Property
ΔfusH°	35.37	kJ/mol	Joback Calculated Property
ΔvapH°	76.37	kJ/mol	Joback Calculated Property
log10WS	-3.99		Crippen Calculated Property
logPoct/wat	3.697		Crippen Calculated Property
McVol	255.790	ml/mol	McGowan Calculated Property
Pc	1664.61	kPa	Joback Calculated Property
Inp	[2319.00; 2319.00]
Inp	2319.00		NIST
Inp	2319.00		NIST
Tboil	808.13	K	Joback Calculated Property
Tc	1031.05	K	Joback Calculated Property
Tfus	461.87	K	Joback Calculated Property
Vc	0.949	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[820.35; 912.31]	J/mol×K	[808.13; 1031.05]
Cp,gas	820.35	J/mol×K	808.13	Joback Calculated Property
Cp,gas	839.95	J/mol×K	845.28	Joback Calculated Property
Cp,gas	857.82	J/mol×K	882.44	Joback Calculated Property
Cp,gas	873.98	J/mol×K	919.59	Joback Calculated Property
Cp,gas	888.44	J/mol×K	956.74	Joback Calculated Property
Cp,gas	901.22	J/mol×K	993.90	Joback Calculated Property
Cp,gas	912.31	J/mol×K	1031.05	Joback Calculated Property
η	[0.0001234; 0.0013411]	Pa×s	[461.87; 808.13]
η	0.0013411	Pa×s	461.87	Joback Calculated Property
η	0.0007225	Pa×s	519.58	Joback Calculated Property
η	0.0004405	Pa×s	577.29	Joback Calculated Property
η	0.0002938	Pa×s	635.00	Joback Calculated Property
η	0.0002096	Pa×s	692.71	Joback Calculated Property
η	0.0001576	Pa×s	750.42	Joback Calculated Property
η	0.0001234	Pa×s	808.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl ethyl ester.

Sources

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

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