Chemical Properties of Glutaric acid, 4-bromophenyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C14H14BrF3O4/c1-9(14(16,17)18)21-12(19)3-2-4-13(20)22-11-7-5-10(15)6-8-11/h5-9H,2-4H2,1H3

InChI Key

AZPNFEBOVLFPRR-UHFFFAOYSA-N

Formula

C14H14BrF3O4

SMILES

CC(OC(=O)CCCC(=O)Oc1ccc(Br)cc1)C(F)(F)F

Molecular Weight¹

383.16

• 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	0.7624		Relay (... Calculated Property
ΔfG°	-867.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1348.05	kJ/mol	Relay (... Calculated Property
ΔfusH°	34.83	kJ/mol	Joback Calculated Property
ΔvapH°	84.92	kJ/mol	Relay (... Calculated Property
IE	8.78	eV	Relay (... Calculated Property
log10WS	-4.50		Relay (... Calculated Property
logPoct/wat	4.019		Crippen Calculated Property
McVol	222.050	ml/mol	McGowan Calculated Property
Pc	2079.33	kPa	Joback Calculated Property
Inp	[1973.00; 1973.00]
Inp	1973.00		NIST
Inp	1973.00		NIST
Tboil	597.24	K	Relay (... Calculated Property
Tc	770.95	K	Relay (... Calculated Property
Tfus	329.82	K	Relay (... Calculated Property
Vc	0.783	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[603.78; 661.37]	J/mol×K	[764.26; 970.41]
Cp,gas	603.78	J/mol×K	764.26	Joback Calculated Property
Cp,gas	615.48	J/mol×K	798.62	Joback Calculated Property
Cp,gas	626.30	J/mol×K	832.98	Joback Calculated Property
Cp,gas	636.25	J/mol×K	867.33	Joback Calculated Property
Cp,gas	645.40	J/mol×K	901.69	Joback Calculated Property
Cp,gas	653.76	J/mol×K	936.05	Joback Calculated Property
Cp,gas	661.37	J/mol×K	970.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-bromophenyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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