Chemical Properties of Phthalic acid, 2-(2-fluorophenyl)ethyl hexadecyl ester

InChI

InChI=1S/C32H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-25-36-31(34)28-21-16-17-22-29(28)32(35)37-26-24-27-20-15-18-23-30(27)33/h15-18,20-23H,2-14,19,24-26H2,1H3

InChI Key

HDOJSDDOPLFJSB-UHFFFAOYSA-N

Formula

C32H45FO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCc1ccccc1F

Molecular Weight¹

512.70

• 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°	-238.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-939.40	kJ/mol	Joback Calculated Property
ΔfusH°	74.59	kJ/mol	Joback Calculated Property
ΔvapH°	110.20	kJ/mol	Joback Calculated Property
log10WS	-10.60		Crippen Calculated Property
logPoct/wat	8.863		Crippen Calculated Property
McVol	430.870	ml/mol	McGowan Calculated Property
Pc	766.91	kPa	Joback Calculated Property
Inp	[3675.00; 3675.00]
Inp	3675.00		NIST
Inp	3675.00		NIST
Tboil	1146.73	K	Joback Calculated Property
Tc	1420.08	K	Joback Calculated Property
Tfus	673.19	K	Joback Calculated Property
Vc	1.677	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1514.81; 1577.84]	J/mol×K	[1146.73; 1420.08]
T(K) Ideal gas heat capacity (J/mol×K) 1510 1520 1530 1540 1550 1560 1570 1580 1200 1300 1400
Cp,gas	1514.81	J/mol×K	1146.73	Joback Calculated Property
Cp,gas	1530.16	J/mol×K	1192.29	Joback Calculated Property
Cp,gas	1543.39	J/mol×K	1237.85	Joback Calculated Property
Cp,gas	1554.63	J/mol×K	1283.40	Joback Calculated Property
Cp,gas	1564.03	J/mol×K	1328.96	Joback Calculated Property
Cp,gas	1571.72	J/mol×K	1374.52	Joback Calculated Property
Cp,gas	1577.84	J/mol×K	1420.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2-(2-fluorophenyl)ethyl hexadecyl ester.

Sources

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

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