Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylbut-2-yl ester

InChI

InChI=1S/C13H21F3O4/c1-8(2)9(3)19-11(17)6-5-7-12(18)20-10(4)13(14,15)16/h8-10H,5-7H2,1-4H3

InChI Key

AECVNMPEENMVGG-UHFFFAOYSA-N

Formula

C13H21F3O4

SMILES

CC(C)C(C)OC(=O)CCCC(=O)OC(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	0.6924		Relay (1.0) Calculated Property
ΔfG°	-998.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1602.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.26	kJ/mol	Joback Calculated Property
ΔvapH°	67.66	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-2.87		Relay (1.0) Calculated Property
logPoct/wat	3.238		Crippen Calculated Property
McVol	214.220	ml/mol	McGowan Calculated Property
Pc	1644.42	kPa	Joback Calculated Property
Inp	[1360.00; 1360.00]
Inp	1360.00		NIST
Inp	1360.00		NIST
Tboil	503.28	K	Relay (1.0) Calculated Property
Tc	652.80	K	Relay (1.0) Calculated Property
Tfus	270.23	K	Relay (1.0) Calculated Property
Vc	0.791	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[596.47; 673.68]	J/mol×K	[642.68; 815.89]
Cp,gas	596.47	J/mol×K	642.68	Joback Calculated Property
Cp,gas	611.15	J/mol×K	671.55	Joback Calculated Property
Cp,gas	625.09	J/mol×K	700.42	Joback Calculated Property
Cp,gas	638.29	J/mol×K	729.29	Joback Calculated Property
Cp,gas	650.78	J/mol×K	758.15	Joback Calculated Property
Cp,gas	662.57	J/mol×K	787.02	Joback Calculated Property
Cp,gas	673.68	J/mol×K	815.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylbut-2-yl ester.

Sources

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

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