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

InChI

InChI=1S/C10H18O4/c1-5-7(2)8(10(12)14-4)6-9(11)13-3/h7-8H,5-6H2,1-4H3

InChI Key

FDOGLQAJSDOFND-UHFFFAOYSA-N

Formula

C10H18O4

SMILES

CCC(C)C(CC(=O)OC)C(=O)OC

Molecular Weight¹

202.25

• 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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-857.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.35	kJ/mol	Joback Calculated Property
ΔvapH°	67.84	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.385		Crippen Calculated Property
McVol	166.640	ml/mol	McGowan Calculated Property
Inp	[1306.00; 1309.00]
Inp	1306.00		NIST
Inp	1309.00		NIST
Inp	1306.00		NIST
Tboil	475.83	K	Relay (1.0) Calculated Property
Tc	677.46	K	Relay (1.0) Calculated Property
Tfus	247.22	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[405.90; 481.99]	J/mol×K	[543.96; 725.70]
Cp,gas	405.90	J/mol×K	543.96	Joback Calculated Property
Cp,gas	420.19	J/mol×K	574.25	Joback Calculated Property
Cp,gas	433.84	J/mol×K	604.54	Joback Calculated Property
Cp,gas	446.85	J/mol×K	634.83	Joback Calculated Property
Cp,gas	459.21	J/mol×K	665.12	Joback Calculated Property
Cp,gas	470.92	J/mol×K	695.41	Joback Calculated Property
Cp,gas	481.99	J/mol×K	725.70	Joback Calculated Property
η	[0.0001433; 0.0107870]	Pa×s	[257.12; 543.96]
η	0.0107870	Pa×s	257.12	Joback Calculated Property
η	0.0029847	Pa×s	304.93	Joback Calculated Property
η	0.0011699	Pa×s	352.73	Joback Calculated Property
η	0.0005735	Pa×s	400.54	Joback Calculated Property
η	0.0003273	Pa×s	448.35	Joback Calculated Property
η	0.0002081	Pa×s	496.15	Joback Calculated Property
η	0.0001433	Pa×s	543.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1-Methylpropyl)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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