Chemical Properties of 1,5-Pentanediol, O,O'-di(6-fluoro-2-trifluoromethylbenzoyl)-

InChI

InChI=1S/C21H16F8O4/c22-14-8-4-6-12(20(24,25)26)16(14)18(30)32-10-2-1-3-11-33-19(31)17-13(21(27,28)29)7-5-9-15(17)23/h4-9H,1-3,10-11H2

InChI Key

ZIVRXMSSTHSGMA-UHFFFAOYSA-N

Formula

C21H16F8O4

SMILES

O=C(OCCCCCOC(=O)c1c(F)cccc1C(F)(F)F)c1c(F)cccc1C(F)(F)F

Molecular Weight¹

484.34

Other Names

• 1,5-Pentanediol, O,O'-di(6-fluoro-2-trifluorobenzoyl)-

• 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	1.0063		Relay (1.0) Calculated Property
ΔfG°	-1708.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-2165.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.06	kJ/mol	Joback Calculated Property
ΔvapH°	101.43	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	6.187		Crippen Calculated Property
McVol	288.270	ml/mol	McGowan Calculated Property
Pc	1220.85	kPa	Joback Calculated Property
Inp	[2359.00; 2359.00]
Inp	2359.00		NIST
Inp	2359.00		NIST
Tboil	650.33	K	Relay (1.0) Calculated Property
Tc	871.95	K	Relay (1.0) Calculated Property
Tfus	344.82	K	Relay (1.0) Calculated Property
Vc	1.086	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[895.46; 950.11]	J/mol×K	[893.44; 1096.10]
Cp,gas	895.46	J/mol×K	893.44	Joback Calculated Property
Cp,gas	906.83	J/mol×K	927.22	Joback Calculated Property
Cp,gas	917.21	J/mol×K	960.99	Joback Calculated Property
Cp,gas	926.68	J/mol×K	994.77	Joback Calculated Property
Cp,gas	935.28	J/mol×K	1028.55	Joback Calculated Property
Cp,gas	943.07	J/mol×K	1062.32	Joback Calculated Property
Cp,gas	950.11	J/mol×K	1096.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Pentanediol, O,O'-di(6-fluoro-2-trifluoromethylbenzoyl)-.

Sources

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

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