Chemical Properties of Phthalic acid, 2,5-difluorobenzyl nonyl ester

InChI

InChI=1S/C24H28F2O4/c1-2-3-4-5-6-7-10-15-29-23(27)20-11-8-9-12-21(20)24(28)30-17-18-16-19(25)13-14-22(18)26/h8-9,11-14,16H,2-7,10,15,17H2,1H3

InChI Key

ZXUJGIBKTYQWPR-UHFFFAOYSA-N

Formula

C24H28F2O4

SMILES

CCCCCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1F

Molecular Weight¹

418.47

• 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).
• 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
ΔfG°	-510.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-981.86	kJ/mol	Joback Calculated Property
ΔfusH°	56.56	kJ/mol	Joback Calculated Property
ΔvapH°	92.23	kJ/mol	Joback Calculated Property
log10WS	-8.08		Crippen Calculated Property
logPoct/wat	6.229		Crippen Calculated Property
McVol	319.920	ml/mol	McGowan Calculated Property
Pc	1186.60	kPa	Joback Calculated Property
Inp	[2738.00; 2738.00]
Inp	2738.00		NIST
Inp	2738.00		NIST
Tboil	967.94	K	Joback Calculated Property
Tc	1187.08	K	Joback Calculated Property
Tfus	596.14	K	Joback Calculated Property
Vc	1.248	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1028.50; 1090.47]	J/mol×K	[967.94; 1187.08]
Cp,gas	1028.50	J/mol×K	967.94	Joback Calculated Property
Cp,gas	1042.11	J/mol×K	1004.46	Joback Calculated Property
Cp,gas	1054.36	J/mol×K	1040.99	Joback Calculated Property
Cp,gas	1065.28	J/mol×K	1077.51	Joback Calculated Property
Cp,gas	1074.91	J/mol×K	1114.04	Joback Calculated Property
Cp,gas	1083.29	J/mol×K	1150.56	Joback Calculated Property
Cp,gas	1090.47	J/mol×K	1187.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,5-difluorobenzyl nonyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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