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

216.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-430.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-770.53	kJ/mol	Joback Calculated Property
ΔfusH°	22.77	kJ/mol	Joback Calculated Property
ΔvapH°	57.62	kJ/mol	Joback Calculated Property
log10WS	-1.67		Crippen Calculated Property
logPoct/wat	1.775		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[1387.00; 1389.00]
Inp	1387.00		NIST
Inp	1389.00		NIST
Inp	1387.00		NIST
Tboil	602.78	K	Joback Calculated Property
Tc	787.66	K	Joback Calculated Property
Tfus	328.05	K	Joback Calculated Property
Vc	0.688	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.83; 543.12]	J/mol×K	[602.78; 787.66]
Cp,gas	465.83	J/mol×K	602.78	Joback Calculated Property
Cp,gas	480.33	J/mol×K	633.59	Joback Calculated Property
Cp,gas	494.18	J/mol×K	664.41	Joback Calculated Property
Cp,gas	507.38	J/mol×K	695.22	Joback Calculated Property
Cp,gas	519.94	J/mol×K	726.03	Joback Calculated Property
Cp,gas	531.86	J/mol×K	756.85	Joback Calculated Property
Cp,gas	543.12	J/mol×K	787.66	Joback Calculated Property
η	[0.0001484; 0.0029767]	Pa×s	[328.05; 602.78]
η	0.0029767	Pa×s	328.05	Joback Calculated Property
η	0.0013297	Pa×s	373.84	Joback Calculated Property
η	0.0007082	Pa×s	419.63	Joback Calculated Property
η	0.0004269	Pa×s	465.41	Joback Calculated Property
η	0.0002818	Pa×s	511.20	Joback Calculated Property
η	0.0001992	Pa×s	556.99	Joback Calculated Property
η	0.0001484	Pa×s	602.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1-Methylbutyl)succinic acid, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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