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

InChI

InChI=1S/C26H48O5/c1-4-5-6-7-8-9-10-11-14-19-30-25(27)23-15-12-13-16-24(23)26(28)31-21-18-22(2)17-20-29-3/h22-24H,4-21H2,1-3H3

InChI Key

WHCYEAZBSAJJNU-UHFFFAOYSA-N

Formula

C26H48O5

SMILES

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

Molecular Weight¹

440.66

• 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°	-390.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-1173.09	kJ/mol	Joback Calculated Property
ΔfusH°	59.24	kJ/mol	Joback Calculated Property
ΔvapH°	93.92	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	6.473		Crippen Calculated Property
McVol	387.090	ml/mol	McGowan Calculated Property
Pc	835.79	kPa	Joback Calculated Property
Inp	[2973.00; 2973.00]
Inp	2973.00		NIST
Inp	2973.00		NIST
Tboil	983.72	K	Joback Calculated Property
Tc	1205.82	K	Joback Calculated Property
Tfus	537.47	K	Joback Calculated Property
Vc	1.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1377.81; 1462.55]	J/mol×K	[983.72; 1205.82]
Cp,gas	1377.81	J/mol×K	983.72	Joback Calculated Property
Cp,gas	1397.00	J/mol×K	1020.74	Joback Calculated Property
Cp,gas	1414.12	J/mol×K	1057.75	Joback Calculated Property
Cp,gas	1429.20	J/mol×K	1094.77	Joback Calculated Property
Cp,gas	1442.28	J/mol×K	1131.79	Joback Calculated Property
Cp,gas	1453.39	J/mol×K	1168.81	Joback Calculated Property
Cp,gas	1462.55	J/mol×K	1205.82	Joback Calculated Property
η	[0.0000198; 0.0003910]	Pa×s	[537.47; 983.72]
η	0.0003910	Pa×s	537.47	Joback Calculated Property
η	0.0001759	Pa×s	611.85	Joback Calculated Property
η	0.0000941	Pa×s	686.22	Joback Calculated Property
η	0.0000569	Pa×s	760.60	Joback Calculated Property
η	0.0000376	Pa×s	834.97	Joback Calculated Property
η	0.0000266	Pa×s	909.35	Joback Calculated Property
η	0.0000198	Pa×s	983.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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