Chemical Properties of Dimethylmalonic acid, hexyl 4-(4-methoxyphenyl)cyclohexyl ester

InChI

InChI=1S/C24H36O5/c1-5-6-7-8-17-28-22(25)24(2,3)23(26)29-21-15-11-19(12-16-21)18-9-13-20(27-4)14-10-18/h9-10,13-14,19,21H,5-8,11-12,15-17H2,1-4H3

InChI Key

GQNYYGJLAJXPJJ-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

CCCCCCOC(=O)C(C)(C)C(=O)OC1CCC(c2ccc(OC)cc2)CC1

Molecular Weight¹

404.54

• 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).
• 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
ΔfG°	-299.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.22	kJ/mol	Joback Calculated Property
ΔfusH°	43.82	kJ/mol	Joback Calculated Property
ΔvapH°	91.50	kJ/mol	Joback Calculated Property
log10WS	-6.13		Crippen Calculated Property
logPoct/wat	5.414		Crippen Calculated Property
McVol	335.150	ml/mol	McGowan Calculated Property
Pc	1156.93	kPa	Joback Calculated Property
Inp	[3014.00; 3014.00]
Inp	3014.00		NIST
Inp	3014.00		NIST
Tboil	966.83	K	Joback Calculated Property
Tc	1191.38	K	Joback Calculated Property
Tfus	571.29	K	Joback Calculated Property
Vc	1.258	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1148.29; 1219.44]	J/mol×K	[966.83; 1191.38]
Cp,gas	1148.29	J/mol×K	966.83	Joback Calculated Property
Cp,gas	1164.43	J/mol×K	1004.26	Joback Calculated Property
Cp,gas	1178.80	J/mol×K	1041.68	Joback Calculated Property
Cp,gas	1191.44	J/mol×K	1079.11	Joback Calculated Property
Cp,gas	1202.39	J/mol×K	1116.53	Joback Calculated Property
Cp,gas	1211.71	J/mol×K	1153.96	Joback Calculated Property
Cp,gas	1219.44	J/mol×K	1191.38	Joback Calculated Property
η	[0.0000238; 0.0002977]	Pa×s	[571.29; 966.83]
η	0.0002977	Pa×s	571.29	Joback Calculated Property
η	0.0001572	Pa×s	637.21	Joback Calculated Property
η	0.0000935	Pa×s	703.14	Joback Calculated Property
η	0.0000608	Pa×s	769.06	Joback Calculated Property
η	0.0000423	Pa×s	834.98	Joback Calculated Property
η	0.0000311	Pa×s	900.91	Joback Calculated Property
η	0.0000238	Pa×s	966.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, hexyl 4-(4-methoxyphenyl)cyclohexyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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