Chemical Properties of Succinic acid, dec-2-yl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C22H34O5/c1-5-6-7-8-9-10-11-18(3)26-21(23)14-15-22(24)27-20-16-17(2)12-13-19(20)25-4/h12-13,16,18H,5-11,14-15H2,1-4H3

InChI Key

ICAUJRXVFNMPPM-UHFFFAOYSA-N

Formula

C22H34O5

SMILES

CCCCCCCCC(C)OC(=O)CCC(=O)Oc1cc(C)ccc1OC

Molecular Weight¹

378.51

• 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°	52.40	kJ/mol	Joback Calculated Property
logPoct/wat	5.372		Crippen Calculated Property
McVol	317.830	ml/mol	McGowan Calculated Property
Inp	[2651.00; 2651.00]
Inp	2651.00		NIST
Inp	2651.00		NIST
Tboil	646.55	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	[467.79; 1064.98]	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			5.22190e+01
Coefficient B			1.72908e+00
Coefficient C			-7.73120e-04
Coefficient D			5.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	467.79	J/mol×K	273.00	Calculated Property
Cp,gas	569.68	J/mol×K	353.78	Calculated Property
Cp,gas	662.27	J/mol×K	434.56	Calculated Property
Cp,gas	745.73	J/mol×K	515.33	Calculated Property
Cp,gas	820.25	J/mol×K	596.11	Calculated Property
Cp,gas	886.00	J/mol×K	676.89	Calculated Property
Cp,gas	943.17	J/mol×K	757.67	Calculated Property
Cp,gas	991.94	J/mol×K	838.44	Calculated Property
Cp,gas	1032.48	J/mol×K	919.22	Calculated Property
Cp,gas	1064.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004652; 0.0000399]	Pa×s	[481.05; 755.69]	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			-1.44338e+01
Coefficient B			3.25221e+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.			481.05
Temperature range, max.			755.69
η	0.0004652	Pa×s	481.05	Calculated Property
η	0.0003108	Pa×s	511.57	Calculated Property
η	0.0002173	Pa×s	542.08	Calculated Property
η	0.0001578	Pa×s	572.60	Calculated Property
η	0.0001184	Pa×s	603.11	Calculated Property
η	0.0000913	Pa×s	633.63	Calculated Property
η	0.0000721	Pa×s	664.14	Calculated Property
η	0.0000582	Pa×s	694.66	Calculated Property
η	0.0000478	Pa×s	725.18	Calculated Property
η	0.0000399	Pa×s	755.69	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dec-2-yl 2-methoxy-5-methylphenyl 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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