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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.67; 552.53]	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			4.12520e+01
Coefficient B			8.56080e-01
Coefficient C			-3.37400e-04
Coefficient D			-7.40000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	249.67	J/mol×K	273.00	Calculated Property
Cp,gas	301.56	J/mol×K	353.78	Calculated Property
Cp,gas	348.94	J/mol×K	434.56	Calculated Property
Cp,gas	391.80	J/mol×K	515.33	Calculated Property
Cp,gas	430.11	J/mol×K	596.11	Calculated Property
Cp,gas	463.84	J/mol×K	676.89	Calculated Property
Cp,gas	492.97	J/mol×K	757.67	Calculated Property
Cp,gas	517.48	J/mol×K	838.44	Calculated Property
Cp,gas	537.34	J/mol×K	919.22	Calculated Property
Cp,gas	552.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0107870; 0.0001885]	Pa×s	[257.12; 507.99]	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			-1.27245e+01
Coefficient B			2.10712e+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.			257.12
Temperature range, max.			507.99
η	0.0107870	Pa×s	257.12	Calculated Property
η	0.0048395	Pa×s	284.99	Calculated Property
η	0.0025045	Pa×s	312.87	Calculated Property
η	0.0014436	Pa×s	340.74	Calculated Property
η	0.0009044	Pa×s	368.62	Calculated Property
η	0.0006051	Pa×s	396.49	Calculated Property
η	0.0004268	Pa×s	424.36	Calculated Property
η	0.0003143	Pa×s	452.24	Calculated Property
η	0.0002398	Pa×s	480.11	Calculated Property
η	0.0001885	Pa×s	507.99	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

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