Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl octadecyl ester

InChI

InChI=1S/C31H58O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-30(32)28-23-20-21-24-29(28)31(33)35-27(4)26(2)3/h26-29H,5-25H2,1-4H3

InChI Key

GSTYJNGWJWKTLP-UHFFFAOYSA-N

Formula

C31H58O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)C(C)C

Molecular Weight¹

494.79

• 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°	-245.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1149.35	kJ/mol	Joback Calculated Property
ΔfusH°	67.48	kJ/mol	Joback Calculated Property
ΔvapH°	102.26	kJ/mol	Joback Calculated Property
log10WS	-9.81		Crippen Calculated Property
logPoct/wat	9.185		Crippen Calculated Property
McVol	451.670	ml/mol	McGowan Calculated Property
Pc	652.77	kPa	Joback Calculated Property
Inp	[3385.00; 3385.00]
Inp	3385.00		NIST
Inp	3385.00		NIST
Tboil	1075.26	K	Joback Calculated Property
Tc	1333.40	K	Joback Calculated Property
Tfus	556.59	K	Joback Calculated Property
Vc	1.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1669.80; 1756.56]	J/mol×K	[1075.26; 1333.40]
Cp,gas	1669.80	J/mol×K	1075.26	Joback Calculated Property
Cp,gas	1690.68	J/mol×K	1118.28	Joback Calculated Property
Cp,gas	1708.85	J/mol×K	1161.31	Joback Calculated Property
Cp,gas	1724.42	J/mol×K	1204.33	Joback Calculated Property
Cp,gas	1737.50	J/mol×K	1247.36	Joback Calculated Property
Cp,gas	1748.18	J/mol×K	1290.38	Joback Calculated Property
Cp,gas	1756.56	J/mol×K	1333.40	Joback Calculated Property
η	[0.0000112; 0.0003337]	Pa×s	[556.59; 1075.26]
η	0.0003337	Pa×s	556.59	Joback Calculated Property
η	0.0001295	Pa×s	643.04	Joback Calculated Property
η	0.0000629	Pa×s	729.48	Joback Calculated Property
η	0.0000356	Pa×s	815.92	Joback Calculated Property
η	0.0000225	Pa×s	902.37	Joback Calculated Property
η	0.0000154	Pa×s	988.82	Joback Calculated Property
η	0.0000112	Pa×s	1075.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl octadecyl ester.

Sources

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

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