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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.24	kJ/mol	Joback Calculated Property
logPoct/wat	4.070		Crippen Calculated Property
McVol	229.370	ml/mol	McGowan Calculated Property
Inp	[1526.00; 1526.00]
Inp	1526.00		NIST
Inp	1526.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.37; 749.01]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.66600e+00
Coefficient B			1.38958e+00
Coefficient C			-8.19900e-04
Coefficient D			1.69660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.37	J/mol×K	273.00	Calculated Property
Cp,gas	406.16	J/mol×K	353.78	Calculated Property
Cp,gas	472.61	J/mol×K	434.56	Calculated Property
Cp,gas	531.24	J/mol×K	515.33	Calculated Property
Cp,gas	582.60	J/mol×K	596.11	Calculated Property
Cp,gas	627.21	J/mol×K	676.89	Calculated Property
Cp,gas	665.63	J/mol×K	757.67	Calculated Property
Cp,gas	698.37	J/mol×K	838.44	Calculated Property
Cp,gas	725.99	J/mol×K	919.22	Calculated Property
Cp,gas	749.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033976; 0.0001593]	Pa×s	[357.14; 597.83]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.32847e+01
Coefficient B			2.71427e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			357.14
Temperature range, max.			597.83
η	0.0033976	Pa×s	357.14	Calculated Property
η	0.0020010	Pa×s	383.88	Calculated Property
η	0.0012626	Pa×s	410.63	Calculated Property
η	0.0008428	Pa×s	437.37	Calculated Property
η	0.0005894	Pa×s	464.11	Calculated Property
η	0.0004286	Pa×s	490.85	Calculated Property
η	0.0003221	Pa×s	517.60	Calculated Property
η	0.0002489	Pa×s	544.34	Calculated Property
η	0.0001971	Pa×s	571.08	Calculated Property
η	0.0001593	Pa×s	597.83	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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