Chemical Properties of Diethylmalonic acid, monochloride, hept-4-yl ester

InChI

InChI=1S/C14H25ClO3/c1-5-9-11(10-6-2)18-13(17)14(7-3,8-4)12(15)16/h11H,5-10H2,1-4H3

InChI Key

KCGIYFVESAUEMY-UHFFFAOYSA-N

Formula

C14H25ClO3

SMILES

CCCC(CCC)OC(=O)C(CC)(CC)C(=O)Cl

Molecular Weight¹

276.80

• 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	0.6443		Relay (... Calculated Property
ΔfG°	-307.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-778.74	kJ/mol	Relay (... Calculated Property
ΔfusH°	29.66	kJ/mol	Joback Calculated Property
ΔvapH°	72.06	kJ/mol	Relay (... Calculated Property
IE	9.35	eV	Relay (... Calculated Property
log10WS	-4.24		Relay (... Calculated Property
logPoct/wat	4.070		Crippen Calculated Property
McVol	229.370	ml/mol	McGowan Calculated Property
Pc	1648.43	kPa	Joback Calculated Property
Inp	[1526.00; 1526.00]
Inp	1526.00		NIST
Inp	1526.00		NIST
Tboil	533.95	K	Relay (... Calculated Property
Tc	723.77	K	Relay (... Calculated Property
Tfus	254.92	K	Relay (... Calculated Property
Vc	0.811	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.47; 709.11]	J/mol×K	[683.64; 874.11]
Cp,gas	627.47	J/mol×K	683.64	Joback Calculated Property
Cp,gas	643.17	J/mol×K	715.38	Joback Calculated Property
Cp,gas	657.99	J/mol×K	747.13	Joback Calculated Property
Cp,gas	671.96	J/mol×K	778.87	Joback Calculated Property
Cp,gas	685.12	J/mol×K	810.62	Joback Calculated Property
Cp,gas	697.49	J/mol×K	842.36	Joback Calculated Property
Cp,gas	709.11	J/mol×K	874.11	Joback Calculated Property
η	[0.0001099; 0.0022520]	Pa×s	[386.97; 683.64]
η	0.0022520	Pa×s	386.97	Joback Calculated Property
η	0.0010237	Pa×s	436.42	Joback Calculated Property
η	0.0005463	Pa×s	485.86	Joback Calculated Property
η	0.0003274	Pa×s	535.31	Joback Calculated Property
η	0.0002140	Pa×s	584.75	Joback Calculated Property
η	0.0001494	Pa×s	634.19	Joback Calculated Property
η	0.0001099	Pa×s	683.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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