Chemical Properties of Isophthalic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C25H32F8O4/c1-2-3-4-5-6-7-8-9-10-11-15-36-20(34)18-13-12-14-19(16-18)21(35)37-17-23(28,29)25(32,33)24(30,31)22(26)27/h12-14,16,22H,2-11,15,17H2,1H3

InChI Key

KZDIOFVHNZAQPK-UHFFFAOYSA-N

Formula

C25H32F8O4

SMILES

CCCCCCCCCCCCOC(=O)c1cccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1

Molecular Weight¹

548.51

• 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	1.1951		Relay (1.0) Calculated Property
ΔfG°	-1757.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-2507.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.61	kJ/mol	Joback Calculated Property
ΔvapH°	112.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-8.80		Relay (1.0) Calculated Property
logPoct/wat	8.092		Crippen Calculated Property
McVol	368.390	ml/mol	McGowan Calculated Property
Pc	814.00	kPa	Joback Calculated Property
Inp	[2667.00; 2667.00]
Inp	2667.00		NIST
Inp	2667.00		NIST
Tboil	676.97	K	Relay (1.0) Calculated Property
Tc	836.32	K	Relay (1.0) Calculated Property
Tfus	318.00	K	Relay (1.0) Calculated Property
Vc	1.386	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1237.57; 1318.97]	J/mol×K	[939.67; 1154.65]
Cp,gas	1237.57	J/mol×K	939.67	Joback Calculated Property
Cp,gas	1253.73	J/mol×K	975.50	Joback Calculated Property
Cp,gas	1268.69	J/mol×K	1011.33	Joback Calculated Property
Cp,gas	1282.59	J/mol×K	1047.16	Joback Calculated Property
Cp,gas	1295.52	J/mol×K	1082.99	Joback Calculated Property
Cp,gas	1307.61	J/mol×K	1118.82	Joback Calculated Property
Cp,gas	1318.97	J/mol×K	1154.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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