Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl undecyl ester

InChI

InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-16-21-31-27(29)24-18-12-13-19-25(24)28(30)32-26-20-15-14-17-23(26)22(2)3/h14-15,17,20,22,24-25H,4-13,16,18-19,21H2,1-3H3

InChI Key

VUHYXHMIUVGZJF-UHFFFAOYSA-N

Formula

C28H44O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

444.65

• 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°	-165.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-857.09	kJ/mol	Joback Calculated Property
ΔfusH°	56.88	kJ/mol	Joback Calculated Property
ΔvapH°	98.90	kJ/mol	Joback Calculated Property
log10WS	-8.36		Crippen Calculated Property
logPoct/wat	7.596		Crippen Calculated Property
McVol	385.640	ml/mol	McGowan Calculated Property
Pc	908.34	kPa	Joback Calculated Property
Inp	[3115.00; 3115.00]
Inp	3115.00		NIST
Inp	3115.00		NIST
Tboil	1038.72	K	Joback Calculated Property
Tc	1271.69	K	Joback Calculated Property
Tfus	576.72	K	Joback Calculated Property
Vc	1.470	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1368.17; 1438.57]	J/mol×K	[1038.72; 1271.69]
Cp,gas	1368.17	J/mol×K	1038.72	Joback Calculated Property
Cp,gas	1384.71	J/mol×K	1077.55	Joback Calculated Property
Cp,gas	1399.24	J/mol×K	1116.38	Joback Calculated Property
Cp,gas	1411.83	J/mol×K	1155.20	Joback Calculated Property
Cp,gas	1422.54	J/mol×K	1194.03	Joback Calculated Property
Cp,gas	1431.44	J/mol×K	1232.86	Joback Calculated Property
Cp,gas	1438.57	J/mol×K	1271.69	Joback Calculated Property
η	[0.0000211; 0.0003344]	Pa×s	[576.72; 1038.72]
η	0.0003344	Pa×s	576.72	Joback Calculated Property
η	0.0001610	Pa×s	653.72	Joback Calculated Property
η	0.0000904	Pa×s	730.72	Joback Calculated Property
η	0.0000567	Pa×s	807.72	Joback Calculated Property
η	0.0000385	Pa×s	884.72	Joback Calculated Property
η	0.0000279	Pa×s	961.72	Joback Calculated Property
η	0.0000211	Pa×s	1038.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl undecyl ester.

Sources

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

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