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

InChI

InChI=1S/C20H36O4/c1-5-6-7-8-9-10-15-23-18(21)20(3,4)19(22)24-17-13-11-16(2)12-14-17/h16-17H,5-15H2,1-4H3

InChI Key

HRWBCZRBMZBBHC-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

340.50

• 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	0.8144		Relay (1.0) Calculated Property
ΔfG°	-330.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1038.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.62	kJ/mol	Joback Calculated Property
ΔvapH°	90.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	5.038		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1226.84	kPa	Joback Calculated Property
Inp	[2199.00; 2199.00]
Inp	2199.00		NIST
Inp	2199.00		NIST
Tboil	605.24	K	Relay (1.0) Calculated Property
Tc	814.89	K	Relay (1.0) Calculated Property
Tfus	263.73	K	Relay (1.0) Calculated Property
Vc	1.114	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.35; 1067.61]	J/mol×K	[821.23; 1021.41]
Cp,gas	970.35	J/mol×K	821.23	Joback Calculated Property
Cp,gas	989.85	J/mol×K	854.59	Joback Calculated Property
Cp,gas	1007.99	J/mol×K	887.96	Joback Calculated Property
Cp,gas	1024.80	J/mol×K	921.32	Joback Calculated Property
Cp,gas	1040.32	J/mol×K	954.68	Joback Calculated Property
Cp,gas	1054.58	J/mol×K	988.05	Joback Calculated Property
Cp,gas	1067.61	J/mol×K	1021.41	Joback Calculated Property
η	[0.0000563; 0.0009656]	Pa×s	[465.04; 821.23]
η	0.0009656	Pa×s	465.04	Joback Calculated Property
η	0.0004599	Pa×s	524.40	Joback Calculated Property
η	0.0002547	Pa×s	583.77	Joback Calculated Property
η	0.0001573	Pa×s	643.13	Joback Calculated Property
η	0.0001054	Pa×s	702.50	Joback Calculated Property
η	0.0000752	Pa×s	761.87	Joback Calculated Property
η	0.0000563	Pa×s	821.23	Joback Calculated Property

Similar Compounds

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

Sources

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

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