Chemical Properties of Diethylmalonic acid, monochloride, 4-bromophenyl ester

InChI

InChI=1S/C13H14BrClO3/c1-3-13(4-2,11(15)16)12(17)18-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3

InChI Key

DDUBNKAPHZKMOV-UHFFFAOYSA-N

Formula

C13H14BrClO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1ccc(Br)cc1

Molecular Weight¹

333.61

• 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	0.6068		Relay (1.0) Calculated Property
ΔfG°	-196.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-489.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.53	kJ/mol	Joback Calculated Property
ΔvapH°	83.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-4.77		Relay (1.0) Calculated Property
logPoct/wat	3.926		Crippen Calculated Property
McVol	209.020	ml/mol	McGowan Calculated Property
Pc	2525.19	kPa	Joback Calculated Property
Inp	[1935.00; 1935.00]
Inp	1935.00		NIST
Inp	1935.00		NIST
Tboil	594.68	K	Relay (1.0) Calculated Property
Tc	821.58	K	Relay (1.0) Calculated Property
Tfus	350.88	K	Relay (1.0) Calculated Property
Vc	0.693	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.71; 582.80]	J/mol×K	[759.02; 994.69]
Cp,gas	524.71	J/mol×K	759.02	Joback Calculated Property
Cp,gas	536.61	J/mol×K	798.30	Joback Calculated Property
Cp,gas	547.53	J/mol×K	837.58	Joback Calculated Property
Cp,gas	557.54	J/mol×K	876.85	Joback Calculated Property
Cp,gas	566.72	J/mol×K	916.13	Joback Calculated Property
Cp,gas	575.11	J/mol×K	955.41	Joback Calculated Property
Cp,gas	582.80	J/mol×K	994.69	Joback Calculated Property
η	[0.0001097; 0.0008541]	Pa×s	[489.44; 759.02]
η	0.0008541	Pa×s	489.44	Joback Calculated Property
η	0.0005255	Pa×s	534.37	Joback Calculated Property
η	0.0003486	Pa×s	579.30	Joback Calculated Property
η	0.0002453	Pa×s	624.23	Joback Calculated Property
η	0.0001810	Pa×s	669.16	Joback Calculated Property
η	0.0001387	Pa×s	714.09	Joback Calculated Property
η	0.0001097	Pa×s	759.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 4-bromophenyl ester.

Sources

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

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