Chemical Properties of Terephthalic acid, 1-(pentafluorophenyl)ethyl propyl ester

InChI

InChI=1S/C19H15F5O4/c1-3-8-27-18(25)10-4-6-11(7-5-10)19(26)28-9(2)12-13(20)15(22)17(24)16(23)14(12)21/h4-7,9H,3,8H2,1-2H3

InChI Key

BYFZRFAAFJWWND-UHFFFAOYSA-N

Formula

C19H15F5O4

SMILES

CCCOC(=O)c1ccc(C(=O)OC(C)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

402.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Property	Value	Unit	Source
ω	0.8854		Relay (1.0) Calculated Property
ΔfG°	-1168.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1416.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.16	kJ/mol	Joback Calculated Property
ΔvapH°	97.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-6.70		Relay (1.0) Calculated Property
logPoct/wat	4.867		Crippen Calculated Property
McVol	254.780	ml/mol	McGowan Calculated Property
Pc	1485.00	kPa	Joback Calculated Property
Inp	[2298.00; 2298.00]
Inp	2298.00		NIST
Inp	2298.00		NIST
Tboil	623.56	K	Relay (1.0) Calculated Property
Tc	826.20	K	Relay (1.0) Calculated Property
Tfus	340.23	K	Relay (1.0) Calculated Property
Vc	0.939	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[755.72; 809.41]	J/mol×K	[865.85; 1070.14]
Cp,gas	755.72	J/mol×K	865.85	Joback Calculated Property
Cp,gas	767.28	J/mol×K	899.90	Joback Calculated Property
Cp,gas	777.78	J/mol×K	933.95	Joback Calculated Property
Cp,gas	787.25	J/mol×K	968.00	Joback Calculated Property
Cp,gas	795.67	J/mol×K	1002.05	Joback Calculated Property
Cp,gas	803.06	J/mol×K	1036.09	Joback Calculated Property
Cp,gas	809.41	J/mol×K	1070.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 1-(pentafluorophenyl)ethyl propyl ester.

Sources

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

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