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

InChI

InChI=1S/C16H18Cl2O5/c1-4-5-6-22-14(20)16(2,3)15(21)23-13-10(9-19)7-11(17)8-12(13)18/h7-9H,4-6H2,1-3H3

InChI Key

UUTYWDOINDULJK-UHFFFAOYSA-N

Formula

C16H18Cl2O5

SMILES

CCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

361.22

• 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	0.8105		Relay (1.0) Calculated Property
ΔfG°	-421.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-877.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.91	kJ/mol	Joback Calculated Property
ΔvapH°	91.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	4.081		Crippen Calculated Property
McVol	253.470	ml/mol	McGowan Calculated Property
Pc	1800.03	kPa	Joback Calculated Property
Inp	[2241.00; 2241.00]
Inp	2241.00		NIST
Inp	2241.00		NIST
Tboil	598.94	K	Relay (1.0) Calculated Property
Tc	875.06	K	Relay (1.0) Calculated Property
Tfus	303.62	K	Relay (1.0) Calculated Property
Vc	0.918	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[709.01; 760.06]	J/mol×K	[879.97; 1101.81]
Cp,gas	709.01	J/mol×K	879.97	Joback Calculated Property
Cp,gas	719.99	J/mol×K	916.94	Joback Calculated Property
Cp,gas	729.95	J/mol×K	953.92	Joback Calculated Property
Cp,gas	738.91	J/mol×K	990.89	Joback Calculated Property
Cp,gas	746.89	J/mol×K	1027.86	Joback Calculated Property
Cp,gas	753.93	J/mol×K	1064.83	Joback Calculated Property
Cp,gas	760.06	J/mol×K	1101.81	Joback Calculated Property
η	[0.0000624; 0.0004013]	Pa×s	[582.64; 879.97]
η	0.0004013	Pa×s	582.64	Joback Calculated Property
η	0.0002606	Pa×s	632.19	Joback Calculated Property
η	0.0001802	Pa×s	681.75	Joback Calculated Property
η	0.0001310	Pa×s	731.31	Joback Calculated Property
η	0.0000991	Pa×s	780.86	Joback Calculated Property
η	0.0000776	Pa×s	830.41	Joback Calculated Property
η	0.0000624	Pa×s	879.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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