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

InChI

InChI=1S/C24H36O5/c1-17(2)7-6-16-28-22(25)24(3,4)23(26)29-21-14-10-19(11-15-21)18-8-12-20(27-5)13-9-18/h8-9,12-13,17,19,21H,6-7,10-11,14-16H2,1-5H3

InChI Key

UTKLXWSDVDWJOA-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

COc1ccc(C2CCC(OC(=O)C(C)(C)C(=O)OCCCC(C)C)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°	-301.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.50	kJ/mol	Joback Calculated Property
ΔfusH°	40.30	kJ/mol	Joback Calculated Property
ΔvapH°	91.11	kJ/mol	Joback Calculated Property
log10WS	-5.88		Crippen Calculated Property
logPoct/wat	5.270		Crippen Calculated Property
McVol	335.150	ml/mol	McGowan Calculated Property
Pc	1163.25	kPa	Joback Calculated Property
Inp	[2978.00; 2978.00]
Inp	2978.00		NIST
Inp	2978.00		NIST
Tboil	966.39	K	Joback Calculated Property
Tc	1192.48	K	Joback Calculated Property
Tfus	556.29	K	Joback Calculated Property
Vc	1.252	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1148.69; 1219.62]	J/mol×K	[966.39; 1192.48]
Cp,gas	1148.69	J/mol×K	966.39	Joback Calculated Property
Cp,gas	1164.88	J/mol×K	1004.07	Joback Calculated Property
Cp,gas	1179.27	J/mol×K	1041.75	Joback Calculated Property
Cp,gas	1191.89	J/mol×K	1079.43	Joback Calculated Property
Cp,gas	1202.79	J/mol×K	1117.11	Joback Calculated Property
Cp,gas	1212.02	J/mol×K	1154.79	Joback Calculated Property
Cp,gas	1219.62	J/mol×K	1192.48	Joback Calculated Property
η	[0.0000217; 0.0003292]	Pa×s	[556.29; 966.39]
η	0.0003292	Pa×s	556.29	Joback Calculated Property
η	0.0001632	Pa×s	624.64	Joback Calculated Property
η	0.0000930	Pa×s	692.99	Joback Calculated Property
η	0.0000586	Pa×s	761.34	Joback Calculated Property
η	0.0000398	Pa×s	829.69	Joback Calculated Property
η	0.0000287	Pa×s	898.04	Joback Calculated Property
η	0.0000217	Pa×s	966.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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