Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl neopentyl ester

InChI

InChI=1S/C13H21F3O4/c1-9(13(14,15)16)20-11(18)7-5-6-10(17)19-8-12(2,3)4/h9H,5-8H2,1-4H3

InChI Key

HSHBFZWBLPTFQT-UHFFFAOYSA-N

Formula

C13H21F3O4

SMILES

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

Molecular Weight¹

298.30

• 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	0.7063		Relay (1.0) Calculated Property
ΔfG°	-990.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1606.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.89	kJ/mol	Joback Calculated Property
ΔvapH°	65.50	kJ/mol	Relay (1.0) Calculated Property
IE	10.28	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	3.240		Crippen Calculated Property
McVol	214.220	ml/mol	McGowan Calculated Property
Pc	1648.43	kPa	Joback Calculated Property
Inp	[1370.00; 1370.00]
Inp	1370.00		NIST
Inp	1370.00		NIST
Tboil	511.52	K	Relay (1.0) Calculated Property
Tc	655.20	K	Relay (1.0) Calculated Property
Tfus	310.16	K	Relay (1.0) Calculated Property
Vc	0.808	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[598.45; 674.93]	J/mol×K	[640.33; 815.51]
Cp,gas	598.45	J/mol×K	640.33	Joback Calculated Property
Cp,gas	613.10	J/mol×K	669.53	Joback Calculated Property
Cp,gas	626.95	J/mol×K	698.72	Joback Calculated Property
Cp,gas	640.04	J/mol×K	727.92	Joback Calculated Property
Cp,gas	652.38	J/mol×K	757.11	Joback Calculated Property
Cp,gas	664.00	J/mol×K	786.31	Joback Calculated Property
Cp,gas	674.93	J/mol×K	815.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl neopentyl ester.

Sources

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

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