Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl diphenylmethyl ester

InChI

InChI=1S/C21H21F3O4/c1-15(21(22,23)24)27-18(25)13-8-14-19(26)28-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,20H,8,13-14H2,1H3

InChI Key

MILBYQCYYWLDIQ-UHFFFAOYSA-N

Formula

C21H21F3O4

SMILES

CC(OC(=O)CCCC(=O)OC(c1ccccc1)c1ccccc1)C(F)(F)F

Molecular Weight¹

394.38

• 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°	-703.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1100.95	kJ/mol	Joback Calculated Property
ΔfusH°	38.58	kJ/mol	Joback Calculated Property
ΔvapH°	80.68	kJ/mol	Joback Calculated Property
log10WS	-5.88		Crippen Calculated Property
logPoct/wat	4.984		Crippen Calculated Property
McVol	279.420	ml/mol	McGowan Calculated Property
Pc	1502.31	kPa	Joback Calculated Property
Inp	[2266.00; 2266.00]
Inp	2266.00		NIST
Inp	2266.00		NIST
Tboil	879.52	K	Joback Calculated Property
Tc	1095.68	K	Joback Calculated Property
Tfus	497.78	K	Joback Calculated Property
Vc	1.075	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[864.17; 928.10]	J/mol×K	[879.52; 1095.68]
Cp,gas	864.17	J/mol×K	879.52	Joback Calculated Property
Cp,gas	877.60	J/mol×K	915.55	Joback Calculated Property
Cp,gas	889.82	J/mol×K	951.57	Joback Calculated Property
Cp,gas	900.91	J/mol×K	987.60	Joback Calculated Property
Cp,gas	910.94	J/mol×K	1023.63	Joback Calculated Property
Cp,gas	919.98	J/mol×K	1059.65	Joback Calculated Property
Cp,gas	928.10	J/mol×K	1095.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl diphenylmethyl ester.

Sources

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

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