Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl isohexyl ester

InChI

InChI=1S/C16H27ClO4/c1-12(2)6-5-10-20-15(18)13-7-3-4-8-14(13)16(19)21-11-9-17/h12-14H,3-11H2,1-2H3

InChI Key

CUNQUAKHJJETDW-UHFFFAOYSA-N

Formula

C16H27ClO4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OCCCl

Molecular Weight¹

318.84

• 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°	-381.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-850.21	kJ/mol	Joback Calculated Property
ΔfusH°	36.35	kJ/mol	Joback Calculated Property
ΔvapH°	73.64	kJ/mol	Joback Calculated Property
log10WS	-3.57		Crippen Calculated Property
logPoct/wat	3.554		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Pc	1575.95	kPa	Joback Calculated Property
Inp	[2110.00; 2110.00]
Inp	2110.00		NIST
Inp	2110.00		NIST
Tboil	769.93	K	Joback Calculated Property
Tc	972.68	K	Joback Calculated Property
Tfus	432.46	K	Joback Calculated Property
Vc	0.955	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[763.45; 851.75]	J/mol×K	[769.93; 972.68]
Cp,gas	763.45	J/mol×K	769.93	Joback Calculated Property
Cp,gas	781.20	J/mol×K	803.72	Joback Calculated Property
Cp,gas	797.72	J/mol×K	837.51	Joback Calculated Property
Cp,gas	813.03	J/mol×K	871.30	Joback Calculated Property
Cp,gas	827.13	J/mol×K	905.10	Joback Calculated Property
Cp,gas	840.04	J/mol×K	938.89	Joback Calculated Property
Cp,gas	851.75	J/mol×K	972.68	Joback Calculated Property
η	[0.0000979; 0.0014210]	Pa×s	[432.46; 769.93]
η	0.0014210	Pa×s	432.46	Joback Calculated Property
η	0.0007040	Pa×s	488.70	Joback Calculated Property
η	0.0004032	Pa×s	544.95	Joback Calculated Property
η	0.0002563	Pa×s	601.19	Joback Calculated Property
η	0.0001760	Pa×s	657.44	Joback Calculated Property
η	0.0001283	Pa×s	713.68	Joback Calculated Property
η	0.0000979	Pa×s	769.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl isohexyl ester.

Sources

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

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