Chemical Properties of Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester

InChI

InChI=1S/C30H43F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-40-26(38)24-20-17-18-21-25(24)27(39)41-23-28(31,32)29(33,34)30(35,36)37/h17-18,20-21H,2-16,19,22-23H2,1H3

InChI Key

SZISVCLFFYVJMY-UHFFFAOYSA-N

Formula

C30H43F7O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

600.65

• 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°	-1518.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-2326.09	kJ/mol	Joback Calculated Property
ΔfusH°	72.00	kJ/mol	Joback Calculated Property
ΔvapH°	94.02	kJ/mol	Joback Calculated Property
log10WS	-11.62		Crippen Calculated Property
logPoct/wat	10.095		Crippen Calculated Property
McVol	437.070	ml/mol	McGowan Calculated Property
Pc	641.57	kPa	Joback Calculated Property
Inp	[1417.00; 1417.00]
Inp	1417.00		NIST
Inp	1417.00		NIST
Tboil	1055.24	K	Joback Calculated Property
Tc	1323.95	K	Joback Calculated Property
Tfus	622.51	K	Joback Calculated Property
Vc	1.748	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1542.06; 1646.62]	J/mol×K	[1055.24; 1323.95]
Cp,gas	1542.06	J/mol×K	1055.24	Joback Calculated Property
Cp,gas	1562.45	J/mol×K	1100.03	Joback Calculated Property
Cp,gas	1581.31	J/mol×K	1144.81	Joback Calculated Property
Cp,gas	1598.90	J/mol×K	1189.60	Joback Calculated Property
Cp,gas	1615.48	J/mol×K	1234.38	Joback Calculated Property
Cp,gas	1631.30	J/mol×K	1279.17	Joback Calculated Property
Cp,gas	1646.62	J/mol×K	1323.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,2,3,3,4,4,4-heptafluorobutyl octadecyl ester.

Sources

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

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