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

InChI

InChI=1S/C18H19F7O4/c1-2-3-4-7-10-28-14(26)12-8-5-6-9-13(12)15(27)29-11-16(19,20)17(21,22)18(23,24)25/h5-6,8-9H,2-4,7,10-11H2,1H3

InChI Key

XSLVCYVVJHHYSR-UHFFFAOYSA-N

Formula

C18H19F7O4

SMILES

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

Molecular Weight¹

432.33

• 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°	-1619.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-2078.41	kJ/mol	Joback Calculated Property
ΔfusH°	40.92	kJ/mol	Joback Calculated Property
ΔvapH°	67.31	kJ/mol	Joback Calculated Property
log10WS	-6.60		Crippen Calculated Property
logPoct/wat	5.413		Crippen Calculated Property
McVol	267.990	ml/mol	McGowan Calculated Property
Pc	1279.16	kPa	Joback Calculated Property
Inp	[1939.00; 1939.00]
Inp	1939.00		NIST
Inp	1939.00		NIST
Tboil	780.68	K	Joback Calculated Property
Tc	964.55	K	Joback Calculated Property
Tfus	487.27	K	Joback Calculated Property
Vc	1.077	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[819.45; 885.56]	J/mol×K	[780.68; 964.55]
Cp,gas	819.45	J/mol×K	780.68	Joback Calculated Property
Cp,gas	832.56	J/mol×K	811.32	Joback Calculated Property
Cp,gas	844.75	J/mol×K	841.97	Joback Calculated Property
Cp,gas	856.09	J/mol×K	872.61	Joback Calculated Property
Cp,gas	866.63	J/mol×K	903.26	Joback Calculated Property
Cp,gas	876.44	J/mol×K	933.90	Joback Calculated Property
Cp,gas	885.56	J/mol×K	964.55	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.