Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, dodecyl 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C27H50O5/c1-4-5-6-7-8-9-10-11-12-15-20-31-26(28)24-16-13-14-17-25(24)27(29)32-22-19-23(2)18-21-30-3/h23-25H,4-22H2,1-3H3

InChI Key

KVDGRLIOUVXURV-UHFFFAOYSA-N

Formula

C27H50O5

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

454.68

• 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°	-382.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-1193.73	kJ/mol	Joback Calculated Property
ΔfusH°	61.83	kJ/mol	Joback Calculated Property
ΔvapH°	96.15	kJ/mol	Joback Calculated Property
log10WS	-7.11		Crippen Calculated Property
logPoct/wat	6.863		Crippen Calculated Property
McVol	401.180	ml/mol	McGowan Calculated Property
Pc	791.26	kPa	Joback Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	1006.60	K	Joback Calculated Property
Tc	1236.22	K	Joback Calculated Property
Tfus	548.74	K	Joback Calculated Property
Vc	1.540	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1441.65; 1524.51]	J/mol×K	[1006.60; 1236.22]
Cp,gas	1441.65	J/mol×K	1006.60	Joback Calculated Property
Cp,gas	1460.93	J/mol×K	1044.87	Joback Calculated Property
Cp,gas	1477.97	J/mol×K	1083.14	Joback Calculated Property
Cp,gas	1492.81	J/mol×K	1121.41	Joback Calculated Property
Cp,gas	1505.49	J/mol×K	1159.68	Joback Calculated Property
Cp,gas	1516.05	J/mol×K	1197.95	Joback Calculated Property
Cp,gas	1524.51	J/mol×K	1236.22	Joback Calculated Property
η	[0.0000170; 0.0003430]	Pa×s	[548.74; 1006.60]
η	0.0003430	Pa×s	548.74	Joback Calculated Property
η	0.0001531	Pa×s	625.05	Joback Calculated Property
η	0.0000814	Pa×s	701.36	Joback Calculated Property
η	0.0000490	Pa×s	777.67	Joback Calculated Property
η	0.0000323	Pa×s	853.98	Joback Calculated Property
η	0.0000228	Pa×s	930.29	Joback Calculated Property
η	0.0000170	Pa×s	1006.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, dodecyl 5-methoxy-3-methylpentyl ester.

Sources

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

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