Chemical Properties of Glutaric acid, but-3-en-2-yl 3-methylbut-2-yl ester

InChI

InChI=1S/C14H24O4/c1-6-11(4)17-13(15)8-7-9-14(16)18-12(5)10(2)3/h6,10-12H,1,7-9H2,2-5H3

InChI Key

BXEPMNXRQIVLRR-UHFFFAOYSA-N

Formula

C14H24O4

SMILES

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

Molecular Weight¹

256.34

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-895.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.91	kJ/mol	Joback Calculated Property
ΔvapH°	73.34	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.862		Crippen Calculated Property
McVol	218.700	ml/mol	McGowan Calculated Property
Inp	[1559.00; 1559.00]
Inp	1559.00		NIST
Inp	1559.00		NIST
Tboil	532.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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	[324.40; 730.92]	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			3.29430e+01
Coefficient B			1.22198e+00
Coefficient C			-5.81100e-04
Coefficient D			5.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.40	J/mol×K	273.00	Calculated Property
Cp,gas	395.05	J/mol×K	353.78	Calculated Property
Cp,gas	458.91	J/mol×K	434.56	Calculated Property
Cp,gas	516.16	J/mol×K	515.33	Calculated Property
Cp,gas	566.98	J/mol×K	596.11	Calculated Property
Cp,gas	611.55	J/mol×K	676.89	Calculated Property
Cp,gas	650.05	J/mol×K	757.67	Calculated Property
Cp,gas	682.65	J/mol×K	838.44	Calculated Property
Cp,gas	709.55	J/mol×K	919.22	Calculated Property
Cp,gas	730.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0093278; 0.0001278]	Pa×s	[285.44; 569.20]	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			-1.32805e+01
Coefficient B			2.45642e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			285.44
Temperature range, max.			569.20
η	0.0093278	Pa×s	285.44	Calculated Property
η	0.0039629	Pa×s	316.97	Calculated Property
η	0.0019657	Pa×s	348.50	Calculated Property
η	0.0010954	Pa×s	380.03	Calculated Property
η	0.0006676	Pa×s	411.56	Calculated Property
η	0.0004366	Pa×s	443.08	Calculated Property
η	0.0003021	Pa×s	474.61	Calculated Property
η	0.0002188	Pa×s	506.14	Calculated Property
η	0.0001646	Pa×s	537.67	Calculated Property
η	0.0001278	Pa×s	569.20	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl 3-methylbut-2-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

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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