Chemical Properties of Glutaric acid, di(but-3-en-2-yl) ester

InChI

InChI=1S/C13H20O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h5-6,10-11H,1-2,7-9H2,3-4H3

InChI Key

LMIRESYEZCWSNC-UHFFFAOYSA-N

Formula

C13H20O4

SMILES

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

Molecular Weight¹

240.30

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-790.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.56	kJ/mol	Joback Calculated Property
ΔvapH°	73.46	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.392		Crippen Calculated Property
McVol	200.310	ml/mol	McGowan Calculated Property
Pc	1801.56	kPa	Joback Calculated Property
Inp	[1462.00; 1462.00]
Inp	1462.00		NIST
Inp	1462.00		NIST
Tboil	519.73	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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	[293.69; 650.28]	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			3.25430e+01
Coefficient B			1.10104e+00
Coefficient C			-5.46400e-04
Coefficient D			6.31000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.69	J/mol×K	273.00	Calculated Property
Cp,gas	356.47	J/mol×K	353.78	Calculated Property
Cp,gas	413.00	J/mol×K	434.56	Calculated Property
Cp,gas	463.47	J/mol×K	515.33	Calculated Property
Cp,gas	508.09	J/mol×K	596.11	Calculated Property
Cp,gas	547.05	J/mol×K	676.89	Calculated Property
Cp,gas	580.54	J/mol×K	757.67	Calculated Property
Cp,gas	608.78	J/mol×K	838.44	Calculated Property
Cp,gas	631.96	J/mol×K	919.22	Calculated Property
Cp,gas	650.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066423; 0.0001533]	Pa×s	[287.41; 552.08]	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			-1.28751e+01
Coefficient B			2.25928e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			287.41
Temperature range, max.			552.08
η	0.0066423	Pa×s	287.41	Calculated Property
η	0.0032021	Pa×s	316.82	Calculated Property
η	0.0017474	Pa×s	346.23	Calculated Property
η	0.0010484	Pa×s	375.63	Calculated Property
η	0.0006774	Pa×s	405.04	Calculated Property
η	0.0004644	Pa×s	434.45	Calculated Property
η	0.0003340	Pa×s	463.86	Calculated Property
η	0.0002498	Pa×s	493.26	Calculated Property
η	0.0001931	Pa×s	522.67	Calculated Property
η	0.0001533	Pa×s	552.08	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(but-3-en-2-yl) ester.

Sources

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

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