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

InChI

InChI=1S/C23H42O4/c1-5-6-7-8-9-10-11-12-13-18-26-21(24)23(3,4)22(25)27-20-16-14-19(2)15-17-20/h19-20H,5-18H2,1-4H3

InChI Key

VZVVSRJDZXMHRK-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(C)CC1

Molecular Weight¹

382.58

• 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	0.9266		Relay (1.0) Calculated Property
ΔfG°	-305.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1097.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.39	kJ/mol	Joback Calculated Property
ΔvapH°	102.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	6.209		Crippen Calculated Property
McVol	338.950	ml/mol	McGowan Calculated Property
Pc	1012.30	kPa	Joback Calculated Property
Inp	[2538.00; 2538.00]
Inp	2538.00		NIST
Inp	2538.00		NIST
Tboil	628.23	K	Relay (1.0) Calculated Property
Tc	840.53	K	Relay (1.0) Calculated Property
Tfus	275.64	K	Relay (1.0) Calculated Property
Vc	1.278	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1155.80; 1252.28]	J/mol×K	[889.87; 1093.71]
Cp,gas	1155.80	J/mol×K	889.87	Joback Calculated Property
Cp,gas	1175.45	J/mol×K	923.84	Joback Calculated Property
Cp,gas	1193.61	J/mol×K	957.82	Joback Calculated Property
Cp,gas	1210.33	J/mol×K	991.79	Joback Calculated Property
Cp,gas	1225.65	J/mol×K	1025.76	Joback Calculated Property
Cp,gas	1239.62	J/mol×K	1059.74	Joback Calculated Property
Cp,gas	1252.28	J/mol×K	1093.71	Joback Calculated Property
η	[0.0000359; 0.0006748]	Pa×s	[498.85; 889.87]
η	0.0006748	Pa×s	498.85	Joback Calculated Property
η	0.0003120	Pa×s	564.02	Joback Calculated Property
η	0.0001693	Pa×s	629.19	Joback Calculated Property
η	0.0001030	Pa×s	694.36	Joback Calculated Property
η	0.0000683	Pa×s	759.53	Joback Calculated Property
η	0.0000483	Pa×s	824.70	Joback Calculated Property
η	0.0000359	Pa×s	889.87	Joback Calculated Property

Similar Compounds

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

Sources

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

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