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

InChI

InChI=1S/C18H34O4/c1-7-11-15(12-8-2)22-17(20)18(9-3,10-4)16(19)21-13-14(5)6/h14-15H,7-13H2,1-6H3

InChI Key

WNYHXSKLBUERJL-UHFFFAOYSA-N

Formula

C18H34O4

SMILES

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

Molecular Weight¹

314.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1038.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.65	kJ/mol	Joback Calculated Property
ΔvapH°	83.04	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.504		Crippen Calculated Property
McVol	279.360	ml/mol	McGowan Calculated Property
Pc	1188.24	kPa	Joback Calculated Property
Inp	[1719.00; 1719.00]
Inp	1719.00		NIST
Inp	1719.00		NIST
Tboil	565.90	K	Relay (1.0) Calculated Property
Tc	746.82	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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	[417.92; 966.73]	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			9.50700e+00
Coefficient B			1.74192e+00
Coefficient C			-9.44400e-04
Coefficient D			1.59700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	417.92	J/mol×K	273.00	Calculated Property
Cp,gas	514.63	J/mol×K	353.78	Calculated Property
Cp,gas	601.23	J/mol×K	434.56	Calculated Property
Cp,gas	678.23	J/mol×K	515.33	Calculated Property
Cp,gas	746.12	J/mol×K	596.11	Calculated Property
Cp,gas	805.42	J/mol×K	676.89	Calculated Property
Cp,gas	856.62	J/mol×K	757.67	Calculated Property
Cp,gas	900.24	J/mol×K	838.44	Calculated Property
Cp,gas	936.77	J/mol×K	919.22	Calculated Property
Cp,gas	966.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039199; 0.0000739]	Pa×s	[349.70; 633.35]	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			-1.44091e+01
Coefficient B			3.10094e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			349.70
Temperature range, max.			633.35
η	0.0039199	Pa×s	349.70	Calculated Property
η	0.0018832	Pa×s	381.22	Calculated Property
η	0.0010119	Pa×s	412.73	Calculated Property
η	0.0005938	Pa×s	444.25	Calculated Property
η	0.0003740	Pa×s	475.77	Calculated Property
η	0.0002494	Pa×s	507.28	Calculated Property
η	0.0001745	Pa×s	538.80	Calculated Property
η	0.0001269	Pa×s	570.32	Calculated Property
η	0.0000955	Pa×s	601.84	Calculated Property
η	0.0000739	Pa×s	633.35	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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