Chemical Properties of Dimethylmalonic acid, cis-4-methylcyclohexyl tridecyl ester

InChI

InChI=1S/C25H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-20-28-23(26)25(3,4)24(27)29-22-18-16-21(2)17-19-22/h21-22H,5-20H2,1-4H3

InChI Key

PWQUAZPRRYIBNE-UHFFFAOYSA-N

Formula

C25H46O4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

410.63

• 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	0.9987		Relay (1.0) Calculated Property
ΔfG°	-288.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1137.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.57	kJ/mol	Joback Calculated Property
ΔvapH°	110.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-6.66		Relay (1.0) Calculated Property
logPoct/wat	6.989		Crippen Calculated Property
McVol	367.130	ml/mol	McGowan Calculated Property
Pc	899.10	kPa	Joback Calculated Property
Inp	[2742.00; 2742.00]
Inp	2742.00		NIST
Inp	2742.00		NIST
Tboil	642.16	K	Relay (1.0) Calculated Property
Tc	856.75	K	Relay (1.0) Calculated Property
Tfus	283.43	K	Relay (1.0) Calculated Property
Vc	1.387	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1282.12; 1378.14]	J/mol×K	[935.63; 1145.96]
Cp,gas	1282.12	J/mol×K	935.63	Joback Calculated Property
Cp,gas	1301.98	J/mol×K	970.68	Joback Calculated Property
Cp,gas	1320.22	J/mol×K	1005.74	Joback Calculated Property
Cp,gas	1336.90	J/mol×K	1040.79	Joback Calculated Property
Cp,gas	1352.08	J/mol×K	1075.85	Joback Calculated Property
Cp,gas	1365.81	J/mol×K	1110.90	Joback Calculated Property
Cp,gas	1378.14	J/mol×K	1145.96	Joback Calculated Property
η	[0.0000264; 0.0005231]	Pa×s	[521.39; 935.63]
η	0.0005231	Pa×s	521.39	Joback Calculated Property
η	0.0002376	Pa×s	590.43	Joback Calculated Property
η	0.0001274	Pa×s	659.47	Joback Calculated Property
η	0.0000768	Pa×s	728.51	Joback Calculated Property
η	0.0000506	Pa×s	797.55	Joback Calculated Property
η	0.0000356	Pa×s	866.59	Joback Calculated Property
η	0.0000264	Pa×s	935.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, cis-4-methylcyclohexyl tridecyl ester.

Sources

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

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