Chemical Properties of Dimethylmalonic acid, 2,5-dichlorophenyl ethyl ester

InChI

InChI=1S/C13H14Cl2O4/c1-4-18-11(16)13(2,3)12(17)19-10-7-8(14)5-6-9(10)15/h5-7H,4H2,1-3H3

InChI Key

PCRJTCKWWJXKBD-UHFFFAOYSA-N

Formula

C13H14Cl2O4

SMILES

CCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

305.15

• 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	0.6422		Relay (1.0) Calculated Property
ΔfG°	-337.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-746.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.24	kJ/mol	Joback Calculated Property
ΔvapH°	83.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.488		Crippen Calculated Property
McVol	209.630	ml/mol	McGowan Calculated Property
Pc	2208.29	kPa	Joback Calculated Property
Inp	[1863.00; 1863.00]
Inp	1863.00		NIST
Inp	1863.00		NIST
Tboil	570.13	K	Relay (1.0) Calculated Property
Tc	805.84	K	Relay (1.0) Calculated Property
Tfus	314.31	K	Relay (1.0) Calculated Property
Vc	0.759	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.95; 595.60]	J/mol×K	[757.69; 984.10]
Cp,gas	537.95	J/mol×K	757.69	Joback Calculated Property
Cp,gas	549.88	J/mol×K	795.42	Joback Calculated Property
Cp,gas	560.86	J/mol×K	833.16	Joback Calculated Property
Cp,gas	570.89	J/mol×K	870.89	Joback Calculated Property
Cp,gas	580.00	J/mol×K	908.63	Joback Calculated Property
Cp,gas	588.23	J/mol×K	946.36	Joback Calculated Property
Cp,gas	595.60	J/mol×K	984.10	Joback Calculated Property
η	[0.0000892; 0.0006326]	Pa×s	[494.31; 757.69]
η	0.0006326	Pa×s	494.31	Joback Calculated Property
η	0.0003995	Pa×s	538.21	Joback Calculated Property
η	0.0002704	Pa×s	582.10	Joback Calculated Property
η	0.0001933	Pa×s	626.00	Joback Calculated Property
η	0.0001444	Pa×s	669.90	Joback Calculated Property
η	0.0001119	Pa×s	713.79	Joback Calculated Property
η	0.0000892	Pa×s	757.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,5-dichlorophenyl ethyl ester.

Sources

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

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