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

InChI

InChI=1S/C23H26F2O4/c1-2-3-4-5-6-7-8-12-28-22(26)17-10-9-11-18(13-17)23(27)29-21-15-19(24)14-20(25)16-21/h9-11,13-16H,2-8,12H2,1H3

InChI Key

CAAQKWFLJWLQBM-UHFFFAOYSA-N

Formula

C23H26F2O4

SMILES

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

Molecular Weight¹

404.45

• 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	1.0893		Relay (... Calculated Property
ΔfG°	-518.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1037.36	kJ/mol	Relay (... Calculated Property
ΔfusH°	53.97	kJ/mol	Joback Calculated Property
ΔvapH°	107.94	kJ/mol	Relay (... Calculated Property
IE	8.96	eV	Relay (... Calculated Property
log10WS	-7.61		Relay (... Calculated Property
logPoct/wat	6.091		Crippen Calculated Property
McVol	305.830	ml/mol	McGowan Calculated Property
Pc	1269.16	kPa	Joback Calculated Property
Inp	[2874.00; 2874.00]
Inp	2874.00		NIST
Inp	2874.00		NIST
Tboil	672.83	K	Relay (... Calculated Property
Tc	910.24	K	Relay (... Calculated Property
Tfus	312.13	K	Relay (... Calculated Property
Vc	1.145	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[968.92; 1030.89]	J/mol×K	[945.06; 1161.56]
Cp,gas	968.92	J/mol×K	945.06	Joback Calculated Property
Cp,gas	982.41	J/mol×K	981.14	Joback Calculated Property
Cp,gas	994.58	J/mol×K	1017.23	Joback Calculated Property
Cp,gas	1005.48	J/mol×K	1053.31	Joback Calculated Property
Cp,gas	1015.14	J/mol×K	1089.39	Joback Calculated Property
Cp,gas	1023.60	J/mol×K	1125.48	Joback Calculated Property
Cp,gas	1030.89	J/mol×K	1161.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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