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

InChI

InChI=1S/C18H26O5/c1-6-14(12(2)3)22-17(19)9-10-18(20)23-16-11-13(4)7-8-15(16)21-5/h7-8,11-12,14H,6,9-10H2,1-5H3

InChI Key

CAYIUECZXZREBY-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

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

Molecular Weight¹

322.40

• 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°	38.52	kJ/mol	Joback Calculated Property
IE	7.97	eV	Relay (1.0) Calculated Property
logPoct/wat	3.667		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Inp	[2236.00; 2236.00]
Inp	2236.00		NIST
Inp	2236.00		NIST
Tboil	622.34	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	[382.62; 859.15]	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			5.41730e+01
Coefficient B			1.35500e+00
Coefficient C			-5.58720e-04
Coefficient D			8.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.62	J/mol×K	273.00	Calculated Property
Cp,gas	464.00	J/mol×K	353.78	Calculated Property
Cp,gas	538.20	J/mol×K	434.56	Calculated Property
Cp,gas	605.26	J/mol×K	515.33	Calculated Property
Cp,gas	665.21	J/mol×K	596.11	Calculated Property
Cp,gas	718.06	J/mol×K	676.89	Calculated Property
Cp,gas	763.86	J/mol×K	757.67	Calculated Property
Cp,gas	802.62	J/mol×K	838.44	Calculated Property
Cp,gas	834.38	J/mol×K	919.22	Calculated Property
Cp,gas	859.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009014; 0.0000604]	Pa×s	[420.97; 690.70]	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			-1.39322e+01
Coefficient B			2.91339e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			420.97
Temperature range, max.			690.70
η	0.0009014	Pa×s	420.97	Calculated Property
η	0.0005691	Pa×s	450.94	Calculated Property
η	0.0003805	Pa×s	480.91	Calculated Property
η	0.0002667	Pa×s	510.88	Calculated Property
η	0.0001944	Pa×s	540.85	Calculated Property
η	0.0001465	Pa×s	570.82	Calculated Property
η	0.0001136	Pa×s	600.79	Calculated Property
η	0.0000902	Pa×s	630.76	Calculated Property
η	0.0000732	Pa×s	660.73	Calculated Property
η	0.0000604	Pa×s	690.70	Calculated Property

Similar Compounds

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