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

InChI

InChI=1S/C16H25F3O4/c1-4-5-6-7-9-12(2)22-14(20)10-8-11-15(21)23-13(3)16(17,18)19/h7,9,12-13H,4-6,8,10-11H2,1-3H3/b9-7+

InChI Key

PBYLROOOKDHVAP-VQHVLOKHSA-N

Formula

C16H25F3O4

SMILES

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

Molecular Weight¹

338.36

• 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	0.7384		Relay (... Calculated Property
ΔfG°	-890.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1586.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.75	kJ/mol	Joback Calculated Property
ΔvapH°	78.20	kJ/mol	Relay (... Calculated Property
IE	9.54	eV	Relay (... Calculated Property
log10WS	-3.96		Relay (... Calculated Property
logPoct/wat	4.329		Crippen Calculated Property
McVol	252.190	ml/mol	McGowan Calculated Property
Pc	1361.64	kPa	Joback Calculated Property
Inp	[1662.00; 1662.00]
Inp	1662.00		NIST
Inp	1662.00		NIST
Tboil	526.72	K	Relay (... Calculated Property
Tc	678.39	K	Relay (... Calculated Property
Tfus	261.19	K	Relay (... Calculated Property
Vc	0.915	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.88; 816.62]	J/mol×K	[715.92; 891.85]
Cp,gas	736.88	J/mol×K	715.92	Joback Calculated Property
Cp,gas	752.14	J/mol×K	745.24	Joback Calculated Property
Cp,gas	766.58	J/mol×K	774.56	Joback Calculated Property
Cp,gas	780.22	J/mol×K	803.88	Joback Calculated Property
Cp,gas	793.09	J/mol×K	833.20	Joback Calculated Property
Cp,gas	805.21	J/mol×K	862.52	Joback Calculated Property
Cp,gas	816.62	J/mol×K	891.85	Joback Calculated Property

Similar Compounds

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

Sources

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

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