Chemical Properties of Succinic acid, dec-2-yl 2,3-dimethylphenyl ester

InChI

InChI=1S/C22H34O4/c1-5-6-7-8-9-10-13-18(3)25-21(23)15-16-22(24)26-20-14-11-12-17(2)19(20)4/h11-12,14,18H,5-10,13,15-16H2,1-4H3

InChI Key

ZRAOVLQCWLKFEX-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

362.50

• 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).
• 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°	51.21	kJ/mol	Joback Calculated Property
logPoct/wat	5.671		Crippen Calculated Property
McVol	311.960	ml/mol	McGowan Calculated Property
Inp	[2592.00; 2592.00]
Inp	2592.00		NIST
Inp	2592.00		NIST
Tboil	634.88	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, 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	[452.39; 1046.48]	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			2.67190e+01
Coefficient B			1.79228e+00
Coefficient C			-8.84120e-04
Coefficient D			1.11600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	452.39	J/mol×K	273.00	Calculated Property
Cp,gas	555.07	J/mol×K	353.78	Calculated Property
Cp,gas	647.77	J/mol×K	434.56	Calculated Property
Cp,gas	730.82	J/mol×K	515.33	Calculated Property
Cp,gas	804.59	J/mol×K	596.11	Calculated Property
Cp,gas	869.42	J/mol×K	676.89	Calculated Property
Cp,gas	925.67	J/mol×K	757.67	Calculated Property
Cp,gas	973.70	J/mol×K	838.44	Calculated Property
Cp,gas	1013.85	J/mol×K	919.22	Calculated Property
Cp,gas	1046.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006969; 0.0000526]	Pa×s	[458.82; 738.45]	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			-1.40909e+01
Coefficient B			3.13012e+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.			458.82
Temperature range, max.			738.45
η	0.0006969	Pa×s	458.82	Calculated Property
η	0.0004521	Pa×s	489.89	Calculated Property
η	0.0003089	Pa×s	520.96	Calculated Property
η	0.0002202	Pa×s	552.03	Calculated Property
η	0.0001628	Pa×s	583.10	Calculated Property
η	0.0001241	Pa×s	614.17	Calculated Property
η	0.0000971	Pa×s	645.24	Calculated Property
η	0.0000777	Pa×s	676.31	Calculated Property
η	0.0000634	Pa×s	707.38	Calculated Property
η	0.0000526	Pa×s	738.45	Calculated Property

Similar Compounds

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