Chemical Properties of Succinic acid, 3-methylbut-2-yl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C17H24O5/c1-11(2)13(4)21-16(18)8-9-17(19)22-15-10-12(3)6-7-14(15)20-5/h6-7,10-11,13H,8-9H2,1-5H3

InChI Key

FLBPKSMDNHNDLO-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

COc1ccc(C)cc1OC(=O)CCC(=O)OC(C)C(C)C

Molecular Weight¹

308.37

• 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°	35.93	kJ/mol	Joback Calculated Property
IE	8.03	eV	Relay (1.0) Calculated Property
logPoct/wat	3.277		Crippen Calculated Property
McVol	247.380	ml/mol	McGowan Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	608.33	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	[361.41; 807.56]	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			5.50820e+01
Coefficient B			1.26000e+00
Coefficient C			-5.04320e-04
Coefficient D			-3.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.41	J/mol×K	273.00	Calculated Property
Cp,gas	437.58	J/mol×K	353.78	Calculated Property
Cp,gas	507.12	J/mol×K	434.56	Calculated Property
Cp,gas	570.03	J/mol×K	515.33	Calculated Property
Cp,gas	626.29	J/mol×K	596.11	Calculated Property
Cp,gas	675.90	J/mol×K	676.89	Calculated Property
Cp,gas	718.84	J/mol×K	757.67	Calculated Property
Cp,gas	755.10	J/mol×K	838.44	Calculated Property
Cp,gas	784.68	J/mol×K	919.22	Calculated Property
Cp,gas	807.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010113; 0.0000675]	Pa×s	[409.70; 675.45]	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			-1.37777e+01
Coefficient B			2.81923e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			409.70
Temperature range, max.			675.45
η	0.0010113	Pa×s	409.70	Calculated Property
η	0.0006368	Pa×s	439.23	Calculated Property
η	0.0004250	Pa×s	468.76	Calculated Property
η	0.0002976	Pa×s	498.28	Calculated Property
η	0.0002168	Pa×s	527.81	Calculated Property
η	0.0001634	Pa×s	557.34	Calculated Property
η	0.0001267	Pa×s	586.87	Calculated Property
η	0.0001006	Pa×s	616.40	Calculated Property
η	0.0000817	Pa×s	645.92	Calculated Property
η	0.0000675	Pa×s	675.45	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.