Chemical Properties of Succinic acid, 2,3-dimethylphenyl isohexyl ester

InChI

InChI=1S/C18H26O4/c1-13(2)7-6-12-21-17(19)10-11-18(20)22-16-9-5-8-14(3)15(16)4/h5,8-9,13H,6-7,10-12H2,1-4H3

InChI Key

VHLANOOFCYNUCM-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

Cc1cccc(OC(=O)CCC(=O)OCCCC(C)C)c1C

Molecular Weight¹

306.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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
ΔfusH°	40.85	kJ/mol	Joback Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	3.968		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Inp	[2214.00; 2214.00]
Inp	2214.00		NIST
Inp	2214.00		NIST
Tboil	616.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[367.53; 840.12]	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			3.03550e+01
Coefficient B			1.41228e+00
Coefficient C			-6.66520e-04
Coefficient D			6.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.53	J/mol×K	273.00	Calculated Property
Cp,gas	449.40	J/mol×K	353.78	Calculated Property
Cp,gas	523.46	J/mol×K	434.56	Calculated Property
Cp,gas	589.90	J/mol×K	515.33	Calculated Property
Cp,gas	648.94	J/mol×K	596.11	Calculated Property
Cp,gas	700.78	J/mol×K	676.89	Calculated Property
Cp,gas	745.61	J/mol×K	757.67	Calculated Property
Cp,gas	783.64	J/mol×K	838.44	Calculated Property
Cp,gas	815.07	J/mol×K	919.22	Calculated Property
Cp,gas	840.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011049; 0.0000847]	Pa×s	[413.74; 673.75]	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			-1.34631e+01
Coefficient B			2.75348e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			413.74
Temperature range, max.			673.75
η	0.0011049	Pa×s	413.74	Calculated Property
η	0.0007156	Pa×s	442.63	Calculated Property
η	0.0004888	Pa×s	471.52	Calculated Property
η	0.0003489	Pa×s	500.41	Calculated Property
η	0.0002584	Pa×s	529.30	Calculated Property
η	0.0001974	Pa×s	558.19	Calculated Property
η	0.0001549	Pa×s	587.08	Calculated Property
η	0.0001243	Pa×s	615.97	Calculated Property
η	0.0001017	Pa×s	644.86	Calculated Property
η	0.0000847	Pa×s	673.75	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2,3-dimethylphenyl isohexyl 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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