Chemical Properties of Succinic acid, 3-methylbut-2-yl 1-phenylpropyl ester

InChI

InChI=1S/C18H26O4/c1-5-16(15-9-7-6-8-10-15)22-18(20)12-11-17(19)21-14(4)13(2)3/h6-10,13-14,16H,5,11-12H2,1-4H3

InChI Key

BIJZEPKVXUHZMM-UHFFFAOYSA-N

Formula

C18H26O4

SMILES

CCC(OC(=O)CCC(=O)OC(C)C(C)C)c1ccccc1

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).
• IE : Ionization energy (eV).
• 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°	34.59	kJ/mol	Joback Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
logPoct/wat	4.049		Crippen Calculated Property
McVol	255.600	ml/mol	McGowan Calculated Property
Inp	[2003.00; 2003.00]
Inp	2003.00		NIST
Inp	2003.00		NIST
Tboil	591.32	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, 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	[361.80; 847.27]	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			-1.60700e+00
Coefficient B			1.54308e+00
Coefficient C			-8.07000e-04
Coefficient D			1.12800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.80	J/mol×K	273.00	Calculated Property
Cp,gas	448.29	J/mol×K	353.78	Calculated Property
Cp,gas	525.81	J/mol×K	434.56	Calculated Property
Cp,gas	594.72	J/mol×K	515.33	Calculated Property
Cp,gas	655.37	J/mol×K	596.11	Calculated Property
Cp,gas	708.12	J/mol×K	676.89	Calculated Property
Cp,gas	753.33	J/mol×K	757.67	Calculated Property
Cp,gas	791.35	J/mol×K	838.44	Calculated Property
Cp,gas	822.55	J/mol×K	919.22	Calculated Property
Cp,gas	847.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031951; 0.0000722]	Pa×s	[358.70; 668.83]	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			-1.39191e+01
Coefficient B			2.93164e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			358.70
Temperature range, max.			668.83
η	0.0031951	Pa×s	358.70	Calculated Property
η	0.0015609	Pa×s	393.16	Calculated Property
η	0.0008559	Pa×s	427.62	Calculated Property
η	0.0005133	Pa×s	462.08	Calculated Property
η	0.0003305	Pa×s	496.53	Calculated Property
η	0.0002253	Pa×s	530.99	Calculated Property
η	0.0001609	Pa×s	565.45	Calculated Property
η	0.0001195	Pa×s	599.91	Calculated Property
η	0.0000916	Pa×s	634.37	Calculated Property
η	0.0000722	Pa×s	668.83	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 1-phenylpropyl 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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