Chemical Properties of Succinic acid, 3-methylbut-2-yl but-3-en-1-yl ester

InChI

InChI=1S/C13H22O4/c1-5-6-9-16-12(14)7-8-13(15)17-11(4)10(2)3/h5,10-11H,1,6-9H2,2-4H3

InChI Key

QJUBXZHVTFKCOP-UHFFFAOYSA-N

Formula

C13H22O4

SMILES

C=CCCOC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

242.31

• 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	-839.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.84	kJ/mol	Joback Calculated Property
ΔvapH°	70.80	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.474		Crippen Calculated Property
McVol	204.610	ml/mol	McGowan Calculated Property
Inp	[1532.00; 1532.00]
Inp	1532.00		NIST
Inp	1532.00		NIST
Tboil	540.33	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	[303.50; 678.79]	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			3.55340e+01
Coefficient B			1.12106e+00
Coefficient C			-5.23500e-04
Coefficient D			4.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.50	J/mol×K	273.00	Calculated Property
Cp,gas	368.64	J/mol×K	353.78	Calculated Property
Cp,gas	427.59	J/mol×K	434.56	Calculated Property
Cp,gas	480.48	J/mol×K	515.33	Calculated Property
Cp,gas	527.47	J/mol×K	596.11	Calculated Property
Cp,gas	568.68	J/mol×K	676.89	Calculated Property
Cp,gas	604.28	J/mol×K	757.67	Calculated Property
Cp,gas	634.40	J/mol×K	838.44	Calculated Property
Cp,gas	659.19	J/mol×K	919.22	Calculated Property
Cp,gas	678.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069748; 0.0001514]	Pa×s	[289.17; 552.37]	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			-1.30038e+01
Coefficient B			2.32444e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			289.17
Temperature range, max.			552.37
η	0.0069748	Pa×s	289.17	Calculated Property
η	0.0033335	Pa×s	318.41	Calculated Property
η	0.0018039	Pa×s	347.66	Calculated Property
η	0.0010738	Pa×s	376.90	Calculated Property
η	0.0006887	Pa×s	406.15	Calculated Property
η	0.0004689	Pa×s	435.39	Calculated Property
η	0.0003351	Pa×s	464.64	Calculated Property
η	0.0002492	Pa×s	493.88	Calculated Property
η	0.0001915	Pa×s	523.13	Calculated Property
η	0.0001514	Pa×s	552.37	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl but-3-en-1-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.
These property values are available through the Cheméo API. A free account gives you an access key.