Chemical Properties of Glutaric acid, di(2,2,3,4,4,4-hexafluorobutyl) ester

InChI

InChI=1S/C13H12F12O4/c14-8(12(20,21)22)10(16,17)4-28-6(26)2-1-3-7(27)29-5-11(18,19)9(15)13(23,24)25/h8-9H,1-5H2

InChI Key

BSLAHWPDAIQDEQ-UHFFFAOYSA-N

Formula

C13H12F12O4

SMILES

O=C(CCCC(=O)OCC(F)(F)C(F)C(F)(F)F)OCC(F)(F)C(F)C(F)(F)F

Molecular Weight¹

460.21

• 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°	-2740.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-3200.13	kJ/mol	Joback Calculated Property
ΔfusH°	35.26	kJ/mol	Joback Calculated Property
ΔvapH°	47.08	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.315		Crippen Calculated Property
McVol	230.150	ml/mol	McGowan Calculated Property
Pc	1255.70	kPa	Joback Calculated Property
Inp	[1345.00; 1345.00]
Inp	1345.00		NIST
Inp	1345.00		NIST
Tboil	626.86	K	Joback Calculated Property
Tc	774.40	K	Joback Calculated Property
Tfus	367.35	K	Joback Calculated Property
Vc	0.972	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.99; 738.59]	J/mol×K	[626.86; 774.40]
Cp,gas	676.99	J/mol×K	626.86	Joback Calculated Property
Cp,gas	688.93	J/mol×K	651.45	Joback Calculated Property
Cp,gas	700.16	J/mol×K	676.04	Joback Calculated Property
Cp,gas	710.71	J/mol×K	700.63	Joback Calculated Property
Cp,gas	720.61	J/mol×K	725.22	Joback Calculated Property
Cp,gas	729.89	J/mol×K	749.81	Joback Calculated Property
Cp,gas	738.59	J/mol×K	774.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(2,2,3,4,4,4-hexafluorobutyl) ester.

Sources

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

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