Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methoxyethyl ester

InChI

InChI=1S/C27H50O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-26(28)24-19-16-17-20-25(24)27(29)32-23-22-30-2/h24-25H,3-23H2,1-2H3

InChI Key

AXXDQCMZVHYTMR-UHFFFAOYSA-N

Formula

C27H50O5

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCOC

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°	-379.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1188.45	kJ/mol	Joback Calculated Property
ΔfusH°	65.35	kJ/mol	Joback Calculated Property
ΔvapH°	96.54	kJ/mol	Joback Calculated Property
log10WS	-7.35		Crippen Calculated Property
logPoct/wat	7.007		Crippen Calculated Property
McVol	401.180	ml/mol	McGowan Calculated Property
Pc	787.71	kPa	Joback Calculated Property
Inp	[3165.00; 3165.00]
Inp	3165.00		NIST
Inp	3165.00		NIST
Tboil	1007.04	K	Joback Calculated Property
Tc	1237.96	K	Joback Calculated Property
Tfus	563.74	K	Joback Calculated Property
Vc	1.546	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1441.36; 1525.05]	J/mol×K	[1007.04; 1237.96]
Cp,gas	1441.36	J/mol×K	1007.04	Joback Calculated Property
Cp,gas	1460.80	J/mol×K	1045.53	Joback Calculated Property
Cp,gas	1477.99	J/mol×K	1084.01	Joback Calculated Property
Cp,gas	1492.98	J/mol×K	1122.50	Joback Calculated Property
Cp,gas	1505.79	J/mol×K	1160.99	Joback Calculated Property
Cp,gas	1516.47	J/mol×K	1199.48	Joback Calculated Property
Cp,gas	1525.05	J/mol×K	1237.96	Joback Calculated Property
η	[0.0000187; 0.0003076]	Pa×s	[563.74; 1007.04]
η	0.0003076	Pa×s	563.74	Joback Calculated Property
η	0.0001471	Pa×s	637.62	Joback Calculated Property
η	0.0000820	Pa×s	711.51	Joback Calculated Property
η	0.0000510	Pa×s	785.39	Joback Calculated Property
η	0.0000345	Pa×s	859.27	Joback Calculated Property
η	0.0000248	Pa×s	933.16	Joback Calculated Property
η	0.0000187	Pa×s	1007.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methoxyethyl ester.

Sources

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

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