Chemical Properties of Phthalic acid, heptyl 3-methoxybenzyl ester

InChI

InChI=1S/C23H28O5/c1-3-4-5-6-9-15-27-22(24)20-13-7-8-14-21(20)23(25)28-17-18-11-10-12-19(16-18)26-2/h7-8,10-14,16H,3-6,9,15,17H2,1-2H3

InChI Key

XXSXNUSHWJJXEH-UHFFFAOYSA-N

Formula

C23H28O5

SMILES

CCCCCCCOC(=O)c1ccccc1C(=O)OCc1cccc(OC)c1

Molecular Weight¹

384.47

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.07; 997.51]	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			1.90870e+01
Coefficient B			1.73924e+00
Coefficient C			-8.55520e-04
Coefficient D			9.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	432.07	J/mol×K	273.00	Calculated Property
Cp,gas	531.51	J/mol×K	353.78	Calculated Property
Cp,gas	621.10	J/mol×K	434.56	Calculated Property
Cp,gas	701.14	J/mol×K	515.33	Calculated Property
Cp,gas	771.92	J/mol×K	596.11	Calculated Property
Cp,gas	833.75	J/mol×K	676.89	Calculated Property
Cp,gas	886.92	J/mol×K	757.67	Calculated Property
Cp,gas	931.74	J/mol×K	838.44	Calculated Property
Cp,gas	968.50	J/mol×K	919.22	Calculated Property
Cp,gas	997.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003018; 0.0000370]	Pa×s	[533.74; 802.61]	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			-1.43671e+01
Coefficient B			3.34197e+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.			533.74
Temperature range, max.			802.61
η	0.0003018	Pa×s	533.74	Calculated Property
η	0.0002166	Pa×s	563.61	Calculated Property
η	0.0001607	Pa×s	593.49	Calculated Property
η	0.0001227	Pa×s	623.36	Calculated Property
η	0.0000960	Pa×s	653.24	Calculated Property
η	0.0000768	Pa×s	683.11	Calculated Property
η	0.0000625	Pa×s	712.99	Calculated Property
η	0.0000518	Pa×s	742.86	Calculated Property
η	0.0000435	Pa×s	772.74	Calculated Property
η	0.0000370	Pa×s	802.61	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, heptyl 3-methoxybenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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