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

InChI

InChI=1S/C29H41F7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39-25(37)23-19-16-17-20-24(23)26(38)40-22-27(30,31)28(32,33)29(34,35)36/h16-17,19-20H,2-15,18,21-22H2,1H3

InChI Key

HVQOSRTYUVITIV-UHFFFAOYSA-N

Formula

C29H41F7O4

SMILES

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

Molecular Weight¹

586.62

• 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°	-1526.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-2305.45	kJ/mol	Joback Calculated Property
ΔfusH°	69.41	kJ/mol	Joback Calculated Property
ΔvapH°	91.79	kJ/mol	Joback Calculated Property
log10WS	-11.20		Crippen Calculated Property
logPoct/wat	9.704		Crippen Calculated Property
McVol	422.980	ml/mol	McGowan Calculated Property
Pc	673.95	kPa	Joback Calculated Property
Inp	[3000.00; 3000.00]
Inp	3000.00		NIST
Inp	3000.00		NIST
Tboil	1032.36	K	Joback Calculated Property
Tc	1287.24	K	Joback Calculated Property
Tfus	611.24	K	Joback Calculated Property
Vc	1.692	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1478.69; 1577.47]	J/mol×K	[1032.36; 1287.24]
Cp,gas	1478.69	J/mol×K	1032.36	Joback Calculated Property
Cp,gas	1498.05	J/mol×K	1074.84	Joback Calculated Property
Cp,gas	1515.97	J/mol×K	1117.32	Joback Calculated Property
Cp,gas	1532.67	J/mol×K	1159.80	Joback Calculated Property
Cp,gas	1548.34	J/mol×K	1202.28	Joback Calculated Property
Cp,gas	1563.20	J/mol×K	1244.76	Joback Calculated Property
Cp,gas	1577.47	J/mol×K	1287.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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