Chemical Properties of Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isohexyl ester

InChI

InChI=1S/C18H22Cl2O5/c1-11(2)6-5-7-24-16(22)18(3,4)17(23)25-15-12(10-21)8-13(19)9-14(15)20/h8-11H,5-7H2,1-4H3

InChI Key

YMQHVEFOVRHIHC-UHFFFAOYSA-N

Formula

C18H22Cl2O5

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

389.27

• 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°	-406.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-833.42	kJ/mol	Joback Calculated Property
ΔfusH°	40.57	kJ/mol	Joback Calculated Property
ΔvapH°	92.04	kJ/mol	Joback Calculated Property
log10WS	-5.54		Crippen Calculated Property
logPoct/wat	4.717		Crippen Calculated Property
McVol	281.650	ml/mol	McGowan Calculated Property
Pc	1548.78	kPa	Joback Calculated Property
Inp	[2391.00; 2391.00]
Inp	2391.00		NIST
Inp	2391.00		NIST
Tboil	925.29	K	Joback Calculated Property
Tc	1148.08	K	Joback Calculated Property
Tfus	590.18	K	Joback Calculated Property
Vc	1.081	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[822.68; 875.55]	J/mol×K	[925.29; 1148.08]
Cp,gas	822.68	J/mol×K	925.29	Joback Calculated Property
Cp,gas	834.18	J/mol×K	962.42	Joback Calculated Property
Cp,gas	844.56	J/mol×K	999.55	Joback Calculated Property
Cp,gas	853.86	J/mol×K	1036.68	Joback Calculated Property
Cp,gas	862.09	J/mol×K	1073.81	Joback Calculated Property
Cp,gas	869.31	J/mol×K	1110.94	Joback Calculated Property
Cp,gas	875.55	J/mol×K	1148.08	Joback Calculated Property
η	[0.0000422; 0.0003473]	Pa×s	[590.18; 925.29]
η	0.0003473	Pa×s	590.18	Joback Calculated Property
η	0.0002100	Pa×s	646.03	Joback Calculated Property
η	0.0001375	Pa×s	701.88	Joback Calculated Property
η	0.0000959	Pa×s	757.74	Joback Calculated Property
η	0.0000702	Pa×s	813.59	Joback Calculated Property
η	0.0000536	Pa×s	869.44	Joback Calculated Property
η	0.0000422	Pa×s	925.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isohexyl ester.

Sources

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

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