Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C19H27F3O4/c1-6-8-14(4)16(12-11-13(2)3)26-18(24)10-7-9-17(23)25-15(5)19(20,21)22/h14-16H,2,6-10H2,1,3-5H3

InChI Key

OJKCVMUEEITITK-UHFFFAOYSA-N

Formula

C19H27F3O4

SMILES

C=C(C)C#CC(OC(=O)CCCC(=O)OC(C)C(F)(F)F)C(C)CCC

Molecular Weight¹

376.41

• 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	0.7348		Relay (... Calculated Property
ΔfG°	-665.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1325.26	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.33	kJ/mol	Joback Calculated Property
ΔvapH°	84.84	kJ/mol	Relay (... Calculated Property
IE	9.15	eV	Relay (... Calculated Property
log10WS	-4.43		Relay (... Calculated Property
logPoct/wat	4.578		Crippen Calculated Property
McVol	285.860	ml/mol	McGowan Calculated Property
Pc	1244.21	kPa	Joback Calculated Property
Inp	[1806.00; 1806.00]
Inp	1806.00		NIST
Inp	1806.00		NIST
Tboil	558.85	K	Relay (... Calculated Property
Tc	717.98	K	Relay (... Calculated Property
Tfus	287.23	K	Relay (... Calculated Property
Vc	1.012	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[859.31; 940.63]	J/mol×K	[785.52; 975.06]
Cp,gas	859.31	J/mol×K	785.52	Joback Calculated Property
Cp,gas	875.21	J/mol×K	817.11	Joback Calculated Property
Cp,gas	890.12	J/mol×K	848.70	Joback Calculated Property
Cp,gas	904.09	J/mol×K	880.29	Joback Calculated Property
Cp,gas	917.14	J/mol×K	911.88	Joback Calculated Property
Cp,gas	929.31	J/mol×K	943.47	Joback Calculated Property
Cp,gas	940.63	J/mol×K	975.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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

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