Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, butyl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C20H28O6/c1-4-5-13-25-19(21)14-9-6-7-10-15(14)20(22)26-18-16(23-2)11-8-12-17(18)24-3/h8,11-12,14-15H,4-7,9-10,13H2,1-3H3

InChI Key

LKKZWDBWXMCOIG-UHFFFAOYSA-N

Formula

C20H28O6

SMILES

CCCCOC(=O)C1CCCCC1C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

364.43

• 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°	-450.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-962.60	kJ/mol	Joback Calculated Property
ΔfusH°	41.67	kJ/mol	Joback Calculated Property
ΔvapH°	86.97	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	3.759		Crippen Calculated Property
McVol	284.660	ml/mol	McGowan Calculated Property
Pc	1471.36	kPa	Joback Calculated Property
Inp	[2602.00; 2602.00]
Inp	2602.00		NIST
Inp	2602.00		NIST
Tboil	905.94	K	Joback Calculated Property
Tc	1125.31	K	Joback Calculated Property
Tfus	558.54	K	Joback Calculated Property
Vc	1.063	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[934.22; 1000.05]	J/mol×K	[905.94; 1125.31]
Cp,gas	934.22	J/mol×K	905.94	Joback Calculated Property
Cp,gas	949.63	J/mol×K	942.50	Joback Calculated Property
Cp,gas	963.29	J/mol×K	979.06	Joback Calculated Property
Cp,gas	975.18	J/mol×K	1015.63	Joback Calculated Property
Cp,gas	985.28	J/mol×K	1052.19	Joback Calculated Property
Cp,gas	993.57	J/mol×K	1088.75	Joback Calculated Property
Cp,gas	1000.05	J/mol×K	1125.31	Joback Calculated Property
η	[0.0000423; 0.0003278]	Pa×s	[558.54; 905.94]
η	0.0003278	Pa×s	558.54	Joback Calculated Property
η	0.0001986	Pa×s	616.44	Joback Calculated Property
η	0.0001311	Pa×s	674.34	Joback Calculated Property
η	0.0000924	Pa×s	732.24	Joback Calculated Property
η	0.0000686	Pa×s	790.14	Joback Calculated Property
η	0.0000530	Pa×s	848.04	Joback Calculated Property
η	0.0000423	Pa×s	905.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, butyl 2,6-dimethoxyphenyl ester.

Sources

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

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