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

InChI

InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-14-19-28-24(26)22-17-12-13-18-23(22)25(27)29-20-21-15-10-9-11-16-21/h21-23H,2-20H2,1H3

InChI Key

KQMSTGAAANOJDG-UHFFFAOYSA-N

Formula

C25H44O4

SMILES

CCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

408.61

• 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	0.9544		Relay (1.0) Calculated Property
ΔfH°gas	-1099.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.98	kJ/mol	Joback Calculated Property
ΔvapH°	117.22	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.65		Relay (1.0) Calculated Property
logPoct/wat	6.600		Crippen Calculated Property
McVol	356.270	ml/mol	McGowan Calculated Property
Pc	957.91	kPa	Joback Calculated Property
Inp	[2906.00; 2906.00]
Inp	2906.00		NIST
Inp	2906.00		NIST
Tboil	685.27	K	Relay (1.0) Calculated Property
Tc	908.32	K	Relay (1.0) Calculated Property
Tfus	302.74	K	Relay (1.0) Calculated Property
Vc	1.317	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	[1261.10; 1351.60]	J/mol×K	[922.47; 1133.81]
Cp,gas	1261.10	J/mol×K	922.47	Joback Calculated Property
Cp,gas	1280.91	J/mol×K	957.69	Joback Calculated Property
Cp,gas	1298.77	J/mol×K	992.92	Joback Calculated Property
Cp,gas	1314.73	J/mol×K	1028.14	Joback Calculated Property
Cp,gas	1328.82	J/mol×K	1063.36	Joback Calculated Property
Cp,gas	1341.10	J/mol×K	1098.59	Joback Calculated Property
Cp,gas	1351.60	J/mol×K	1133.81	Joback Calculated Property
η	[0.0000269; 0.0010302]	Pa×s	[466.69; 922.47]
η	0.0010302	Pa×s	466.69	Joback Calculated Property
η	0.0003666	Pa×s	542.65	Joback Calculated Property
η	0.0001681	Pa×s	618.62	Joback Calculated Property
η	0.0000914	Pa×s	694.58	Joback Calculated Property
η	0.0000561	Pa×s	770.54	Joback Calculated Property
η	0.0000375	Pa×s	846.51	Joback Calculated Property
η	0.0000269	Pa×s	922.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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