Chemical Properties of Succinic acid, heptyl 3-methylbutyl ester

InChI

InChI=1S/C16H30O4/c1-4-5-6-7-8-12-19-15(17)9-10-16(18)20-13-11-14(2)3/h14H,4-13H2,1-3H3

InChI Key

CZKDYDDAVJICMG-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

CCCCCCCOC(=O)CCC(=O)OCCC(C)C

Molecular Weight¹

286.41

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[377.26; 861.54]	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			3.74800e+01
Coefficient B			1.42016e+00
Coefficient C			-6.60600e-04
Coefficient D			6.45000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	377.26	J/mol×K	273.00	Calculated Property
Cp,gas	460.08	J/mol×K	353.78	Calculated Property
Cp,gas	535.16	J/mol×K	434.56	Calculated Property
Cp,gas	602.73	J/mol×K	515.33	Calculated Property
Cp,gas	662.97	J/mol×K	596.11	Calculated Property
Cp,gas	716.10	J/mol×K	676.89	Calculated Property
Cp,gas	762.32	J/mol×K	757.67	Calculated Property
Cp,gas	801.83	J/mol×K	838.44	Calculated Property
Cp,gas	834.83	J/mol×K	919.22	Calculated Property
Cp,gas	861.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034040; 0.0001194]	Pa×s	[339.74; 598.27]	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			-1.34366e+01
Coefficient B			2.63426e+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.			339.74
Temperature range, max.			598.27
η	0.0034040	Pa×s	339.74	Calculated Property
η	0.0018598	Pa×s	368.47	Calculated Property
η	0.0011090	Pa×s	397.19	Calculated Property
η	0.0007090	Pa×s	425.92	Calculated Property
η	0.0004797	Pa×s	454.64	Calculated Property
η	0.0003399	Pa×s	483.37	Calculated Property
η	0.0002504	Pa×s	512.09	Calculated Property
η	0.0001905	Pa×s	540.82	Calculated Property
η	0.0001490	Pa×s	569.54	Calculated Property
η	0.0001194	Pa×s	598.27	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, heptyl 3-methylbutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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