Chemical Properties of Terephthalic acid, heptyl 2,2,2-trifluoro-1-phenylethyl ester

InChI

InChI=1S/C23H25F3O4/c1-2-3-4-5-9-16-29-21(27)18-12-14-19(15-13-18)22(28)30-20(23(24,25)26)17-10-7-6-8-11-17/h6-8,10-15,20H,2-5,9,16H2,1H3

InChI Key

YBSGMZLPYBGLBU-UHFFFAOYSA-N

Formula

C23H25F3O4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OC(c2ccccc2)C(F)(F)F)cc1

Molecular Weight¹

422.44

• 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).
• 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
ΔfG°	-693.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1148.42	kJ/mol	Joback Calculated Property
ΔfusH°	46.90	kJ/mol	Joback Calculated Property
ΔvapH°	86.18	kJ/mol	Joback Calculated Property
log10WS	-7.62		Crippen Calculated Property
logPoct/wat	6.274		Crippen Calculated Property
McVol	307.600	ml/mol	McGowan Calculated Property
Pc	1280.08	kPa	Joback Calculated Property
Inp	[2714.00; 2714.00]
Inp	2714.00		NIST
Inp	2714.00		NIST
Tboil	930.70	K	Joback Calculated Property
Tc	1146.78	K	Joback Calculated Property
Tfus	547.84	K	Joback Calculated Property
Vc	1.192	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.13; 1043.60]	J/mol×K	[930.70; 1146.78]
Cp,gas	979.13	J/mol×K	930.70	Joback Calculated Property
Cp,gas	992.66	J/mol×K	966.71	Joback Calculated Property
Cp,gas	1004.98	J/mol×K	1002.73	Joback Calculated Property
Cp,gas	1016.16	J/mol×K	1038.74	Joback Calculated Property
Cp,gas	1026.28	J/mol×K	1074.75	Joback Calculated Property
Cp,gas	1035.41	J/mol×K	1110.76	Joback Calculated Property
Cp,gas	1043.60	J/mol×K	1146.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptyl 2,2,2-trifluoro-1-phenylethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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