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

InChI

InChI=1S/C26H46O4/c1-2-3-4-5-6-7-8-9-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-22-16-11-10-12-17-22/h22-24H,2-21H2,1H3

InChI Key

WKLDKJRWDADVLJ-UHFFFAOYSA-N

Formula

C26H46O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

422.64

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ω	0.9909		Relay (1.0) Calculated Property
ΔfH°gas	-1119.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.57	kJ/mol	Joback Calculated Property
ΔvapH°	121.25	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.97		Relay (1.0) Calculated Property
logPoct/wat	6.990		Crippen Calculated Property
McVol	370.360	ml/mol	McGowan Calculated Property
Pc	903.43	kPa	Joback Calculated Property
Inp	[3025.00; 3025.00]
Inp	3025.00		NIST
Inp	3025.00		NIST
Tboil	691.83	K	Relay (1.0) Calculated Property
Tc	915.44	K	Relay (1.0) Calculated Property
Tfus	305.23	K	Relay (1.0) Calculated Property
Vc	1.371	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1324.53; 1412.79]	J/mol×K	[945.35; 1159.39]
Cp,gas	1324.53	J/mol×K	945.35	Joback Calculated Property
Cp,gas	1344.12	J/mol×K	981.02	Joback Calculated Property
Cp,gas	1361.70	J/mol×K	1016.70	Joback Calculated Property
Cp,gas	1377.31	J/mol×K	1052.37	Joback Calculated Property
Cp,gas	1390.99	J/mol×K	1088.04	Joback Calculated Property
Cp,gas	1402.80	J/mol×K	1123.72	Joback Calculated Property
Cp,gas	1412.79	J/mol×K	1159.39	Joback Calculated Property
η	[0.0000230; 0.0008936]	Pa×s	[477.96; 945.35]
η	0.0008936	Pa×s	477.96	Joback Calculated Property
η	0.0003166	Pa×s	555.86	Joback Calculated Property
η	0.0001448	Pa×s	633.76	Joback Calculated Property
η	0.0000786	Pa×s	711.65	Joback Calculated Property
η	0.0000481	Pa×s	789.55	Joback Calculated Property
η	0.0000322	Pa×s	867.45	Joback Calculated Property
η	0.0000230	Pa×s	945.35	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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