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

InChI

InChI=1S/C17H22Cl2O4/c1-4-7-11-22-15(20)17(5-2,6-3)16(21)23-14-12(18)9-8-10-13(14)19/h8-10H,4-7,11H2,1-3H3

InChI Key

YCPAXUYQDVMBGU-UHFFFAOYSA-N

Formula

C17H22Cl2O4

SMILES

CCCCOC(=O)C(CC)(CC)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_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	0.7842		Relay (1.0) Calculated Property
ΔfH°gas	-778.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.77	kJ/mol	Joback Calculated Property
ΔvapH°	98.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	5.049		Crippen Calculated Property
McVol	265.990	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[2202.00; 2202.00]
Inp	2202.00		NIST
Inp	2202.00		NIST
Tboil	590.74	K	Relay (1.0) Calculated Property
Tc	850.18	K	Relay (1.0) Calculated Property
Tfus	312.29	K	Relay (1.0) Calculated Property
Vc	0.943	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.41; 811.75]	J/mol×K	[813.27; 1025.56]
Cp,gas	747.41	J/mol×K	813.27	Joback Calculated Property
Cp,gas	760.88	J/mol×K	848.65	Joback Calculated Property
Cp,gas	773.20	J/mol×K	884.03	Joback Calculated Property
Cp,gas	784.41	J/mol×K	919.42	Joback Calculated Property
Cp,gas	794.54	J/mol×K	954.80	Joback Calculated Property
Cp,gas	803.65	J/mol×K	990.18	Joback Calculated Property
Cp,gas	811.75	J/mol×K	1025.56	Joback Calculated Property
η	[0.0000392; 0.0006069]	Pa×s	[479.73; 813.27]
η	0.0006069	Pa×s	479.73	Joback Calculated Property
η	0.0003033	Pa×s	535.32	Joback Calculated Property
η	0.0001727	Pa×s	590.91	Joback Calculated Property
η	0.0001083	Pa×s	646.50	Joback Calculated Property
η	0.0000732	Pa×s	702.09	Joback Calculated Property
η	0.0000523	Pa×s	757.68	Joback Calculated Property
η	0.0000392	Pa×s	813.27	Joback Calculated Property

Similar Compounds

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