Chemical Properties of Succinic acid, 3-methylbut-2-yl 3-phenoxybenzyl ester

InChI

InChI=1S/C22H26O5/c1-16(2)17(3)26-22(24)13-12-21(23)25-15-18-8-7-11-20(14-18)27-19-9-5-4-6-10-19/h4-11,14,16-17H,12-13,15H2,1-3H3

InChI Key

BKXKJDNQIDXKHE-UHFFFAOYSA-N

Formula

C22H26O5

SMILES

CC(C)C(C)OC(=O)CCC(=O)OCc1cccc(Oc2ccccc2)c1

Molecular Weight¹

370.44

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.31	kJ/mol	Joback Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	4.890		Crippen Calculated Property
McVol	294.070	ml/mol	McGowan Calculated Property
Inp	[2656.00; 2656.00]
Inp	2656.00		NIST
Inp	2656.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[407.67; 950.03]	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			2.33300e+00
Coefficient B			1.71556e+00
Coefficient C			-8.74560e-04
Coefficient D			1.06700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	407.67	J/mol×K	273.00	Calculated Property
Cp,gas	504.53	J/mol×K	353.78	Calculated Property
Cp,gas	591.44	J/mol×K	434.56	Calculated Property
Cp,gas	668.77	J/mol×K	515.33	Calculated Property
Cp,gas	736.83	J/mol×K	596.11	Calculated Property
Cp,gas	795.96	J/mol×K	676.89	Calculated Property
Cp,gas	846.52	J/mol×K	757.67	Calculated Property
Cp,gas	888.82	J/mol×K	838.44	Calculated Property
Cp,gas	923.21	J/mol×K	919.22	Calculated Property
Cp,gas	950.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005336; 0.0000348]	Pa×s	[479.95; 784.75]	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			-1.45673e+01
Coefficient B			3.37471e+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.			479.95
Temperature range, max.			784.75
η	0.0005336	Pa×s	479.95	Calculated Property
η	0.0003357	Pa×s	513.82	Calculated Property
η	0.0002236	Pa×s	547.68	Calculated Property
η	0.0001562	Pa×s	581.55	Calculated Property
η	0.0001135	Pa×s	615.41	Calculated Property
η	0.0000853	Pa×s	649.28	Calculated Property
η	0.0000659	Pa×s	683.15	Calculated Property
η	0.0000522	Pa×s	717.01	Calculated Property
η	0.0000422	Pa×s	750.88	Calculated Property
η	0.0000348	Pa×s	784.75	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-phenoxybenzyl 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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