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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.38; 533.98]	J/mol×K	[566.84; 746.81]
Cp,gas	454.38	J/mol×K	566.84	Joback Calculated Property
Cp,gas	469.37	J/mol×K	596.84	Joback Calculated Property
Cp,gas	483.67	J/mol×K	626.83	Joback Calculated Property
Cp,gas	497.28	J/mol×K	656.83	Joback Calculated Property
Cp,gas	510.20	J/mol×K	686.82	Joback Calculated Property
Cp,gas	522.43	J/mol×K	716.82	Joback Calculated Property
Cp,gas	533.98	J/mol×K	746.81	Joback Calculated Property
η	[0.0001268; 0.0095173]	Pa×s	[268.39; 566.84]
η	0.0095173	Pa×s	268.39	Joback Calculated Property
η	0.0026398	Pa×s	318.13	Joback Calculated Property
η	0.0010357	Pa×s	367.87	Joback Calculated Property
η	0.0005078	Pa×s	417.61	Joback Calculated Property
η	0.0002898	Pa×s	467.36	Joback Calculated Property
η	0.0001842	Pa×s	517.10	Joback Calculated Property
η	0.0001268	Pa×s	566.84	Joback 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.
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