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

InChI

InChI=1S/C19H28O5/c1-5-6-7-8-15(3)23-18(20)11-12-19(21)24-17-13-14(2)9-10-16(17)22-4/h9-10,13,15H,5-8,11-12H2,1-4H3

InChI Key

UOYBWQDIOPIYRO-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

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

Molecular Weight¹

336.42

• 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).
• 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°	44.63	kJ/mol	Joback Calculated Property
logPoct/wat	4.201		Crippen Calculated Property
McVol	275.560	ml/mol	McGowan Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	624.67	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, Ionization energy, 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	[404.15; 910.21]	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			5.49460e+01
Coefficient B			1.44408e+00
Coefficient C			-6.09920e-04
Coefficient D			2.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.15	J/mol×K	273.00	Calculated Property
Cp,gas	490.43	J/mol×K	353.78	Calculated Property
Cp,gas	569.03	J/mol×K	434.56	Calculated Property
Cp,gas	640.04	J/mol×K	515.33	Calculated Property
Cp,gas	703.51	J/mol×K	596.11	Calculated Property
Cp,gas	759.52	J/mol×K	676.89	Calculated Property
Cp,gas	808.12	J/mol×K	757.67	Calculated Property
Cp,gas	849.40	J/mol×K	838.44	Calculated Property
Cp,gas	883.40	J/mol×K	919.22	Calculated Property
Cp,gas	910.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006658; 0.0000587]	Pa×s	[447.24; 705.21]	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			-1.39546e+01
Coefficient B			2.96973e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			447.24
Temperature range, max.			705.21
η	0.0006658	Pa×s	447.24	Calculated Property
η	0.0004463	Pa×s	475.90	Calculated Property
η	0.0003131	Pa×s	504.57	Calculated Property
η	0.0002282	Pa×s	533.23	Calculated Property
η	0.0001718	Pa×s	561.89	Calculated Property
η	0.0001329	Pa×s	590.56	Calculated Property
η	0.0001053	Pa×s	619.22	Calculated Property
η	0.0000852	Pa×s	647.89	Calculated Property
η	0.0000701	Pa×s	676.55	Calculated Property
η	0.0000587	Pa×s	705.21	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-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

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