Chemical Properties of Adipic acid, isobutyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C15H20F8O4/c1-9(2)7-26-10(24)5-3-4-6-11(25)27-8-13(18,19)15(22,23)14(20,21)12(16)17/h9,12H,3-8H2,1-2H3

InChI Key

RYFSWGLANMYMMC-UHFFFAOYSA-N

Formula

C15H20F8O4

SMILES

CC(C)COC(=O)CCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F

Molecular Weight¹

416.30

• 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	0.8451		Relay (... Calculated Property
ΔfG°	-1947.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-2553.31	kJ/mol	Relay (... Calculated Property
ΔfusH°	35.53	kJ/mol	Joback Calculated Property
ΔvapH°	80.19	kJ/mol	Relay (... Calculated Property
IE	10.15	eV	Relay (... Calculated Property
log10WS	-5.30		Relay (... Calculated Property
logPoct/wat	4.460		Crippen Calculated Property
McVol	251.250	ml/mol	McGowan Calculated Property
Pc	1228.56	kPa	Joback Calculated Property
Inp	[1631.00; 1631.00]
Inp	1631.00		NIST
Inp	1631.00		NIST
Tboil	548.37	K	Relay (... Calculated Property
Tc	678.59	K	Relay (... Calculated Property
Tfus	289.45	K	Relay (... Calculated Property
Vc	0.960	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.43; 820.46]	J/mol×K	[678.77; 839.25]
Cp,gas	748.43	J/mol×K	678.77	Joback Calculated Property
Cp,gas	762.29	J/mol×K	705.52	Joback Calculated Property
Cp,gas	775.37	J/mol×K	732.26	Joback Calculated Property
Cp,gas	787.69	J/mol×K	759.01	Joback Calculated Property
Cp,gas	799.29	J/mol×K	785.76	Joback Calculated Property
Cp,gas	810.20	J/mol×K	812.51	Joback Calculated Property
Cp,gas	820.46	J/mol×K	839.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, isobutyl 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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