Chemical Properties of Succinic acid, 2-methylpent-3-yl 2-isopropoxyphenyl ester

InChI

InChI=1S/C19H28O5/c1-6-15(13(2)3)23-18(20)11-12-19(21)24-17-10-8-7-9-16(17)22-14(4)5/h7-10,13-15H,6,11-12H2,1-5H3

InChI Key

ICGJPOZCIHBDIA-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CCC(OC(=O)CCC(=O)Oc1ccccc1OC(C)C)C(C)C

Molecular Weight¹

336.43

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.97	kJ/mol	Joback Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	4.137		Crippen Calculated Property
McVol	275.560	ml/mol	McGowan Calculated Property
Inp	[2199.00; 2199.00]
Inp	2199.00		NIST
Inp	2199.00		NIST
Tfus	301.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[400.97; 914.32]	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			3.72830e+01
Coefficient B			1.51540e+00
Coefficient C			-6.83360e-04
Coefficient D			4.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.97	J/mol×K	273.00	Calculated Property
Cp,gas	489.86	J/mol×K	353.78	Calculated Property
Cp,gas	570.46	J/mol×K	434.56	Calculated Property
Cp,gas	642.90	J/mol×K	515.33	Calculated Property
Cp,gas	707.33	J/mol×K	596.11	Calculated Property
Cp,gas	763.90	J/mol×K	676.89	Calculated Property
Cp,gas	812.73	J/mol×K	757.67	Calculated Property
Cp,gas	853.99	J/mol×K	838.44	Calculated Property
Cp,gas	887.81	J/mol×K	919.22	Calculated Property
Cp,gas	914.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012743; 0.0000494]	Pa×s	[404.72; 703.55]	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			-1.43166e+01
Coefficient B			3.09663e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			404.72
Temperature range, max.			703.55
η	0.0012743	Pa×s	404.72	Calculated Property
η	0.0007134	Pa×s	437.92	Calculated Property
η	0.0004334	Pa×s	471.13	Calculated Property
η	0.0002812	Pa×s	504.33	Calculated Property
η	0.0001924	Pa×s	537.53	Calculated Property
η	0.0001376	Pa×s	570.74	Calculated Property
η	0.0001021	Pa×s	603.94	Calculated Property
η	0.0000782	Pa×s	637.15	Calculated Property
η	0.0000615	Pa×s	670.35	Calculated Property
η	0.0000494	Pa×s	703.55	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylpent-3-yl 2-isopropoxyphenyl 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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