Chemical Properties of Diethylmalonic acid, monochloride, 2-chloro-5-methylphenyl ester

InChI

InChI=1S/C14H16Cl2O3/c1-4-14(5-2,12(16)17)13(18)19-11-8-9(3)6-7-10(11)15/h6-8H,4-5H2,1-3H3

InChI Key

HJTWPDZHUODJMA-UHFFFAOYSA-N

Formula

C14H16Cl2O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

303.18

• 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	0.6267		Relay (1.0) Calculated Property
ΔfG°	-223.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-564.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.64	kJ/mol	Joback Calculated Property
ΔvapH°	82.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.42	eV	Relay (1.0) Calculated Property
log10WS	-4.64		Relay (1.0) Calculated Property
logPoct/wat	4.126		Crippen Calculated Property
McVol	217.850	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[1902.00; 1902.00]
Inp	1902.00		NIST
Inp	1902.00		NIST
Tboil	576.90	K	Relay (1.0) Calculated Property
Tc	821.02	K	Relay (1.0) Calculated Property
Tfus	349.58	K	Relay (1.0) Calculated Property
Vc	0.746	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[565.62; 628.14]	J/mol×K	[758.15; 983.54]
Cp,gas	565.62	J/mol×K	758.15	Joback Calculated Property
Cp,gas	578.32	J/mol×K	795.71	Joback Calculated Property
Cp,gas	590.05	J/mol×K	833.28	Joback Calculated Property
Cp,gas	600.85	J/mol×K	870.84	Joback Calculated Property
Cp,gas	610.76	J/mol×K	908.41	Joback Calculated Property
Cp,gas	619.85	J/mol×K	945.97	Joback Calculated Property
Cp,gas	628.14	J/mol×K	983.54	Joback Calculated Property
η	[0.0001028; 0.0008126]	Pa×s	[483.35; 758.15]
η	0.0008126	Pa×s	483.35	Joback Calculated Property
η	0.0004960	Pa×s	529.15	Joback Calculated Property
η	0.0003275	Pa×s	574.95	Joback Calculated Property
η	0.0002299	Pa×s	620.75	Joback Calculated Property
η	0.0001694	Pa×s	666.55	Joback Calculated Property
η	0.0001299	Pa×s	712.35	Joback Calculated Property
η	0.0001028	Pa×s	758.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-chloro-5-methylphenyl ester.

Sources

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

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