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

InChI

InChI=1S/C27H34F2O4/c1-2-3-4-5-6-7-8-9-10-13-18-32-26(30)23-14-11-12-15-24(23)27(31)33-20-21-19-22(28)16-17-25(21)29/h11-12,14-17,19H,2-10,13,18,20H2,1H3

InChI Key

ANJMJXIALAIWJA-UHFFFAOYSA-N

Formula

C27H34F2O4

SMILES

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

Molecular Weight¹

460.55

• 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	1.2000		Relay (1.0) Calculated Property
ΔfG°	-485.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-1084.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.34	kJ/mol	Joback Calculated Property
ΔvapH°	127.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
log10WS	-8.14		Relay (1.0) Calculated Property
logPoct/wat	7.399		Crippen Calculated Property
McVol	362.190	ml/mol	McGowan Calculated Property
Pc	982.08	kPa	Joback Calculated Property
Inp	[3043.00; 3043.00]
Inp	3043.00		NIST
Inp	3043.00		NIST
Tboil	701.22	K	Relay (1.0) Calculated Property
Tc	934.38	K	Relay (1.0) Calculated Property
Tfus	300.17	K	Relay (1.0) Calculated Property
Vc	1.356	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1210.05; 1271.55]	J/mol×K	[1036.58; 1269.63]
Cp,gas	1210.05	J/mol×K	1036.58	Joback Calculated Property
Cp,gas	1224.11	J/mol×K	1075.42	Joback Calculated Property
Cp,gas	1236.57	J/mol×K	1114.26	Joback Calculated Property
Cp,gas	1247.48	J/mol×K	1153.11	Joback Calculated Property
Cp,gas	1256.90	J/mol×K	1191.95	Joback Calculated Property
Cp,gas	1264.91	J/mol×K	1230.79	Joback Calculated Property
Cp,gas	1271.55	J/mol×K	1269.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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