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

InChI

InChI=1S/C22H32F2O4/c1-2-3-4-11-14-27-21(25)12-9-7-5-6-8-10-13-22(26)28-20-16-18(23)15-19(24)17-20/h15-17H,2-14H2,1H3

InChI Key

FFZUEXJJXVVTIK-UHFFFAOYSA-N

Formula

C22H32F2O4

SMILES

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

Molecular Weight¹

398.48

• 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	1.1039		Relay (... Calculated Property
ΔfG°	-629.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1253.22	kJ/mol	Relay (... Calculated Property
ΔfusH°	57.73	kJ/mol	Joback Calculated Property
ΔvapH°	107.83	kJ/mol	Relay (... Calculated Property
IE	8.89	eV	Relay (... Calculated Property
log10WS	-6.85		Relay (... Calculated Property
logPoct/wat	6.114		Crippen Calculated Property
McVol	315.500	ml/mol	McGowan Calculated Property
Pc	1091.38	kPa	Joback Calculated Property
Inp	[2647.00; 2647.00]
Inp	2647.00		NIST
Inp	2647.00		NIST
Tboil	640.99	K	Relay (... Calculated Property
Tc	831.84	K	Relay (... Calculated Property
Tfus	310.22	K	Relay (... Calculated Property
Vc	1.198	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1011.05; 1089.26]	J/mol×K	[890.52; 1090.98]
Cp,gas	1011.05	J/mol×K	890.52	Joback Calculated Property
Cp,gas	1027.01	J/mol×K	923.93	Joback Calculated Property
Cp,gas	1041.77	J/mol×K	957.34	Joback Calculated Property
Cp,gas	1055.35	J/mol×K	990.75	Joback Calculated Property
Cp,gas	1067.77	J/mol×K	1024.16	Joback Calculated Property
Cp,gas	1079.07	J/mol×K	1057.57	Joback Calculated Property
Cp,gas	1089.26	J/mol×K	1090.98	Joback Calculated Property

Similar Compounds

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

Sources

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

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