Chemical Properties of Diethylmalonic acid, 2,6-dichlorophenyl isobutyl ester

InChI

InChI=1S/C17H22Cl2O4/c1-5-17(6-2,15(20)22-10-11(3)4)16(21)23-14-12(18)8-7-9-13(14)19/h7-9,11H,5-6,10H2,1-4H3

InChI Key

RNFQQLRJIKYOFZ-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

361.26

• 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	0.7502		Relay (1.0) Calculated Property
ΔfG°	-305.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.08	kJ/mol	Joback Calculated Property
ΔvapH°	93.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-5.16		Relay (1.0) Calculated Property
logPoct/wat	4.904		Crippen Calculated Property
McVol	265.990	ml/mol	McGowan Calculated Property
Pc	1594.89	kPa	Joback Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	590.90	K	Relay (1.0) Calculated Property
Tc	843.64	K	Relay (1.0) Calculated Property
Tfus	345.90	K	Relay (1.0) Calculated Property
Vc	0.942	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[757.09; 821.36]	J/mol×K	[848.77; 1067.85]
Cp,gas	757.09	J/mol×K	848.77	Joback Calculated Property
Cp,gas	770.43	J/mol×K	885.28	Joback Calculated Property
Cp,gas	782.67	J/mol×K	921.80	Joback Calculated Property
Cp,gas	793.85	J/mol×K	958.31	Joback Calculated Property
Cp,gas	803.99	J/mol×K	994.82	Joback Calculated Property
Cp,gas	813.15	J/mol×K	1031.33	Joback Calculated Property
Cp,gas	821.36	J/mol×K	1067.85	Joback Calculated Property
η	[0.0000458; 0.0004714]	Pa×s	[524.39; 848.77]
η	0.0004714	Pa×s	524.39	Joback Calculated Property
η	0.0002665	Pa×s	578.45	Joback Calculated Property
η	0.0001661	Pa×s	632.52	Joback Calculated Property
η	0.0001115	Pa×s	686.58	Joback Calculated Property
η	0.0000794	Pa×s	740.64	Joback Calculated Property
η	0.0000592	Pa×s	794.71	Joback Calculated Property
η	0.0000458	Pa×s	848.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dichlorophenyl isobutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.