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

InChI

InChI=1S/C24H36O6/c1-4-5-6-7-8-11-17-29-23(25)18-13-9-10-14-19(18)24(26)30-22-20(27-2)15-12-16-21(22)28-3/h12,15-16,18-19H,4-11,13-14,17H2,1-3H3

InChI Key

JGABBUKGJHSTSK-UHFFFAOYSA-N

Formula

C24H36O6

SMILES

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

Molecular Weight¹

420.54

• 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°	-416.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1045.16	kJ/mol	Joback Calculated Property
ΔfusH°	52.03	kJ/mol	Joback Calculated Property
ΔvapH°	95.87	kJ/mol	Joback Calculated Property
log10WS	-6.16		Crippen Calculated Property
logPoct/wat	5.319		Crippen Calculated Property
McVol	341.020	ml/mol	McGowan Calculated Property
Pc	1117.81	kPa	Joback Calculated Property
Inp	[3004.00; 3004.00]
Inp	3004.00		NIST
Inp	3004.00		NIST
Tboil	997.46	K	Joback Calculated Property
Tc	1222.78	K	Joback Calculated Property
Tfus	603.62	K	Joback Calculated Property
Vc	1.288	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1175.63; 1231.02]	J/mol×K	[997.46; 1222.78]
Cp,gas	1175.63	J/mol×K	997.46	Joback Calculated Property
Cp,gas	1190.10	J/mol×K	1035.01	Joback Calculated Property
Cp,gas	1202.47	J/mol×K	1072.57	Joback Calculated Property
Cp,gas	1212.75	J/mol×K	1110.12	Joback Calculated Property
Cp,gas	1220.94	J/mol×K	1147.67	Joback Calculated Property
Cp,gas	1227.03	J/mol×K	1185.23	Joback Calculated Property
Cp,gas	1231.02	J/mol×K	1222.78	Joback Calculated Property
η	[0.0000238; 0.0002138]	Pa×s	[603.62; 997.46]
η	0.0002138	Pa×s	603.62	Joback Calculated Property
η	0.0001239	Pa×s	669.26	Joback Calculated Property
η	0.0000791	Pa×s	734.90	Joback Calculated Property
η	0.0000544	Pa×s	800.54	Joback Calculated Property
η	0.0000396	Pa×s	866.18	Joback Calculated Property
η	0.0000301	Pa×s	931.82	Joback Calculated Property
η	0.0000238	Pa×s	997.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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