Chemical Properties of (1-Methylbutyl)succinic acid, methyl ester

InChI

InChI=1S/C11H20O4/c1-5-6-8(2)9(11(13)15-4)7-10(12)14-3/h8-9H,5-7H2,1-4H3

InChI Key

MEHILCPPVITORZ-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

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

Molecular Weight¹

216.28

• 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	-866.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.94	kJ/mol	Joback Calculated Property
ΔvapH°	71.36	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.775		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Inp	[1387.00; 1389.00]
Inp	1387.00		NIST
Inp	1387.00		NIST
Inp	1389.00		NIST
Tboil	488.50	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	[270.88; 604.12]	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			4.03430e+01
Coefficient B			9.51080e-01
Coefficient C			-3.91800e-04
Coefficient D			4.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.88	J/mol×K	273.00	Calculated Property
Cp,gas	327.98	J/mol×K	353.78	Calculated Property
Cp,gas	380.02	J/mol×K	434.56	Calculated Property
Cp,gas	427.03	J/mol×K	515.33	Calculated Property
Cp,gas	469.02	J/mol×K	596.11	Calculated Property
Cp,gas	506.00	J/mol×K	676.89	Calculated Property
Cp,gas	537.99	J/mol×K	757.67	Calculated Property
Cp,gas	564.99	J/mol×K	838.44	Calculated Property
Cp,gas	587.03	J/mol×K	919.22	Calculated Property
Cp,gas	604.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095173; 0.0001759]	Pa×s	[268.39; 522.77]	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			-1.28564e+01
Coefficient B			2.20128e+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.			268.39
Temperature range, max.			522.77
η	0.0095173	Pa×s	268.39	Calculated Property
η	0.0043565	Pa×s	296.65	Calculated Property
η	0.0022846	Pa×s	324.92	Calculated Property
η	0.0013285	Pa×s	353.18	Calculated Property
η	0.0008371	Pa×s	381.45	Calculated Property
η	0.0005622	Pa×s	409.71	Calculated Property
η	0.0003975	Pa×s	437.98	Calculated Property
η	0.0002931	Pa×s	466.24	Calculated Property
η	0.0002238	Pa×s	494.50	Calculated Property
η	0.0001759	Pa×s	522.77	Calculated Property

Similar Compounds

Find more compounds similar to (1-Methylbutyl)succinic acid, methyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.