Chemical Properties of Glutaric acid, 3,5-difluorophenyl hexyl ester

InChI

InChI=1S/C17H22F2O4/c1-2-3-4-5-9-22-16(20)7-6-8-17(21)23-15-11-13(18)10-14(19)12-15/h10-12H,2-9H2,1H3

InChI Key

QGMRRAGDPZYERA-UHFFFAOYSA-N

Formula

C17H22F2O4

SMILES

CCCCCCOC(=O)CCCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

328.35

• 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	0.9172		Relay (1.0) Calculated Property
ΔfG°	-672.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1160.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.78	kJ/mol	Joback Calculated Property
ΔvapH°	89.87	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	245.050	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[2112.00; 2112.00]
Inp	2112.00		NIST
Inp	2112.00		NIST
Tboil	604.30	K	Relay (1.0) Calculated Property
Tc	789.65	K	Relay (1.0) Calculated Property
Tfus	291.17	K	Relay (1.0) Calculated Property
Vc	0.925	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.85; 791.47]	J/mol×K	[776.12; 966.64]
Cp,gas	718.85	J/mol×K	776.12	Joback Calculated Property
Cp,gas	733.19	J/mol×K	807.87	Joback Calculated Property
Cp,gas	746.62	J/mol×K	839.63	Joback Calculated Property
Cp,gas	759.15	J/mol×K	871.38	Joback Calculated Property
Cp,gas	770.80	J/mol×K	903.13	Joback Calculated Property
Cp,gas	781.57	J/mol×K	934.89	Joback Calculated Property
Cp,gas	791.47	J/mol×K	966.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,5-difluorophenyl hexyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.