Chemical Properties of Isophthalic acid, 3,5-difluorophenyl undecyl ester

InChI

InChI=1S/C25H30F2O4/c1-2-3-4-5-6-7-8-9-10-14-30-24(28)19-12-11-13-20(15-19)25(29)31-23-17-21(26)16-22(27)18-23/h11-13,15-18H,2-10,14H2,1H3

InChI Key

IGVZQJLSPKUZFD-UHFFFAOYSA-N

Formula

C25H30F2O4

SMILES

CCCCCCCCCCCOC(=O)c1cccc(C(=O)Oc2cc(F)cc(F)c2)c1

Molecular Weight¹

432.50

• 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	1.1696		Relay (... Calculated Property
ΔfG°	-501.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-1077.72	kJ/mol	Relay (... Calculated Property
ΔfusH°	59.15	kJ/mol	Joback Calculated Property
ΔvapH°	116.07	kJ/mol	Relay (... Calculated Property
IE	9.00	eV	Relay (... Calculated Property
log10WS	-8.18		Relay (... Calculated Property
logPoct/wat	6.872		Crippen Calculated Property
McVol	334.010	ml/mol	McGowan Calculated Property
Pc	1111.85	kPa	Joback Calculated Property
Inp	[3090.00; 3090.00]
Inp	3090.00		NIST
Inp	3090.00		NIST
Tboil	687.23	K	Relay (... Calculated Property
Tc	923.42	K	Relay (... Calculated Property
Tfus	315.33	K	Relay (... Calculated Property
Vc	1.254	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1088.57; 1150.47]	J/mol×K	[990.82; 1213.56]
Cp,gas	1088.57	J/mol×K	990.82	Joback Calculated Property
Cp,gas	1102.32	J/mol×K	1027.94	Joback Calculated Property
Cp,gas	1114.64	J/mol×K	1065.07	Joback Calculated Property
Cp,gas	1125.57	J/mol×K	1102.19	Joback Calculated Property
Cp,gas	1135.15	J/mol×K	1139.31	Joback Calculated Property
Cp,gas	1143.44	J/mol×K	1176.44	Joback Calculated Property
Cp,gas	1150.47	J/mol×K	1213.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3,5-difluorophenyl undecyl ester.

Sources

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

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