Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylcyclohexyl ester

InChI

InChI=1S/C27H48O4/c1-3-4-5-6-7-8-9-10-11-16-21-30-26(28)23-18-13-14-19-24(23)27(29)31-25-20-15-12-17-22(25)2/h22-25H,3-21H2,1-2H3

InChI Key

XALYPGLCLYRQJH-UHFFFAOYSA-N

Formula

C27H48O4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC1CCCCC1C

Molecular Weight¹

436.67

• 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°	-257.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1022.25	kJ/mol	Joback Calculated Property
ΔfusH°	57.07	kJ/mol	Joback Calculated Property
ΔvapH°	94.25	kJ/mol	Joback Calculated Property
log10WS	-8.03		Crippen Calculated Property
logPoct/wat	7.379		Crippen Calculated Property
McVol	384.450	ml/mol	McGowan Calculated Property
Pc	878.44	kPa	Joback Calculated Property
Inp	[3054.00; 3054.00]
Inp	3054.00		NIST
Inp	3054.00		NIST
Tboil	999.50	K	Joback Calculated Property
Tc	1223.76	K	Joback Calculated Property
Tfus	544.65	K	Joback Calculated Property
Vc	1.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1410.52; 1493.07]	J/mol×K	[999.50; 1223.76]
Cp,gas	1410.52	J/mol×K	999.50	Joback Calculated Property
Cp,gas	1429.61	J/mol×K	1036.88	Joback Calculated Property
Cp,gas	1446.51	J/mol×K	1074.25	Joback Calculated Property
Cp,gas	1461.26	J/mol×K	1111.63	Joback Calculated Property
Cp,gas	1473.90	J/mol×K	1149.01	Joback Calculated Property
Cp,gas	1484.49	J/mol×K	1186.39	Joback Calculated Property
Cp,gas	1493.07	J/mol×K	1223.76	Joback Calculated Property
η	[0.0000351; 0.0005729]	Pa×s	[544.65; 999.50]
η	0.0005729	Pa×s	544.65	Joback Calculated Property
η	0.0002706	Pa×s	620.46	Joback Calculated Property
η	0.0001505	Pa×s	696.27	Joback Calculated Property
η	0.0000940	Pa×s	772.08	Joback Calculated Property
η	0.0000638	Pa×s	847.88	Joback Calculated Property
η	0.0000462	Pa×s	923.69	Joback Calculated Property
η	0.0000351	Pa×s	999.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylcyclohexyl ester.

Sources

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

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