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

InChI

InChI=1S/C23H23F5O4/c1-3-4-5-6-7-12-31-22(29)14-8-10-15(11-9-14)23(30)32-13(2)16-17(24)19(26)21(28)20(27)18(16)25/h8-11,13H,3-7,12H2,1-2H3

InChI Key

LNFVSFQOPMBOEL-UHFFFAOYSA-N

Formula

C23H23F5O4

SMILES

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

Molecular Weight¹

458.42

• 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	1.0520		Relay (1.0) Calculated Property
ΔfG°	-1134.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1489.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.52	kJ/mol	Joback Calculated Property
ΔvapH°	109.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-7.90		Relay (1.0) Calculated Property
logPoct/wat	6.427		Crippen Calculated Property
McVol	311.140	ml/mol	McGowan Calculated Property
Pc	1126.83	kPa	Joback Calculated Property
Inp	[2752.00; 2752.00]
Inp	2752.00		NIST
Inp	2752.00		NIST
Tboil	657.01	K	Relay (1.0) Calculated Property
Tc	865.49	K	Relay (1.0) Calculated Property
Tfus	334.38	K	Relay (1.0) Calculated Property
Vc	1.151	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[986.89; 1041.81]	J/mol×K	[957.37; 1172.30]
Cp,gas	986.89	J/mol×K	957.37	Joback Calculated Property
Cp,gas	999.34	J/mol×K	993.19	Joback Calculated Property
Cp,gas	1010.45	J/mol×K	1029.01	Joback Calculated Property
Cp,gas	1020.23	J/mol×K	1064.84	Joback Calculated Property
Cp,gas	1028.71	J/mol×K	1100.66	Joback Calculated Property
Cp,gas	1035.89	J/mol×K	1136.48	Joback Calculated Property
Cp,gas	1041.81	J/mol×K	1172.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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