Chemical Properties of Terephthalic acid, 4-fluoro-2-methoxyphenyl propyl ester

InChI

InChI=1S/C18H17FO5/c1-3-10-23-17(20)12-4-6-13(7-5-12)18(21)24-15-9-8-14(19)11-16(15)22-2/h4-9,11H,3,10H2,1-2H3

InChI Key

OEGDICHOJHOVDU-UHFFFAOYSA-N

Formula

C18H17FO5

SMILES

CCCOC(=O)c1ccc(C(=O)Oc2ccc(F)cc2OC)cc1

Molecular Weight¹

332.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-895.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.30	kJ/mol	Joback Calculated Property
ΔvapH°	100.65	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	3.620		Crippen Calculated Property
McVol	239.480	ml/mol	McGowan Calculated Property
Pc	1763.93	kPa	Joback Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	651.65	K	Relay (1.0) Calculated Property
Tfus	341.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[336.75; 743.58]	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			4.40220e+01
Coefficient B			1.21654e+00
Coefficient C			-5.32880e-04
Coefficient D			1.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	336.75	J/mol×K	273.00	Calculated Property
Cp,gas	408.42	J/mol×K	353.78	Calculated Property
Cp,gas	473.35	J/mol×K	434.56	Calculated Property
Cp,gas	531.61	J/mol×K	515.33	Calculated Property
Cp,gas	583.22	J/mol×K	596.11	Calculated Property
Cp,gas	628.26	J/mol×K	676.89	Calculated Property
Cp,gas	666.76	J/mol×K	757.67	Calculated Property
Cp,gas	698.79	J/mol×K	838.44	Calculated Property
Cp,gas	724.38	J/mol×K	919.22	Calculated Property
Cp,gas	743.58	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 4-fluoro-2-methoxyphenyl propyl ester.

Sources

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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