Chemical Properties of Dimethylmalonic acid, decyl trans-4-methylcyclohexyl ester

InChI

InChI=1S/C22H40O4/c1-5-6-7-8-9-10-11-12-17-25-20(23)22(3,4)21(24)26-19-15-13-18(2)14-16-19/h18-19H,5-17H2,1-4H3

InChI Key

FLRGZQGFCSBNAF-UHFFFAOYSA-N

Formula

C22H40O4

SMILES

CCCCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

368.55

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	0.8899		Relay (1.0) Calculated Property
ΔfG°	-313.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.80	kJ/mol	Joback Calculated Property
ΔvapH°	98.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	5.818		Crippen Calculated Property
McVol	324.860	ml/mol	McGowan Calculated Property
Pc	1077.10	kPa	Joback Calculated Property
Inp	[2407.00; 2407.00]
Inp	2407.00		NIST
Inp	2407.00		NIST
Tboil	620.78	K	Relay (1.0) Calculated Property
Tc	832.19	K	Relay (1.0) Calculated Property
Tfus	271.75	K	Relay (1.0) Calculated Property
Vc	1.223	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1093.39; 1190.13]	J/mol×K	[866.99; 1068.86]
Cp,gas	1093.39	J/mol×K	866.99	Joback Calculated Property
Cp,gas	1112.97	J/mol×K	900.63	Joback Calculated Property
Cp,gas	1131.12	J/mol×K	934.28	Joback Calculated Property
Cp,gas	1147.87	J/mol×K	967.92	Joback Calculated Property
Cp,gas	1163.26	J/mol×K	1001.57	Joback Calculated Property
Cp,gas	1177.33	J/mol×K	1035.21	Joback Calculated Property
Cp,gas	1190.13	J/mol×K	1068.86	Joback Calculated Property
η	[0.0000418; 0.0007630]	Pa×s	[487.58; 866.99]
η	0.0007630	Pa×s	487.58	Joback Calculated Property
η	0.0003562	Pa×s	550.81	Joback Calculated Property
η	0.0001945	Pa×s	614.05	Joback Calculated Property
η	0.0001189	Pa×s	677.28	Joback Calculated Property
η	0.0000791	Pa×s	740.52	Joback Calculated Property
η	0.0000561	Pa×s	803.75	Joback Calculated Property
η	0.0000418	Pa×s	866.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, decyl trans-4-methylcyclohexyl ester.

Sources

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

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