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

InChI

InChI=1S/C14H23F3O4/c1-4-7-11(5-2)21-13(19)9-6-8-12(18)20-10(3)14(15,16)17/h10-11H,4-9H2,1-3H3

InChI Key

ZPKTUSIMPAUJHL-UHFFFAOYSA-N

Formula

C14H23F3O4

SMILES

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

Molecular Weight¹

312.33

• 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	0.7498		Relay (1.0) Calculated Property
ΔfG°	-987.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1613.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.37	kJ/mol	Joback Calculated Property
ΔvapH°	72.04	kJ/mol	Relay (1.0) Calculated Property
IE	10.08	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	3.773		Crippen Calculated Property
McVol	228.310	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[1450.00; 1450.00]
Inp	1450.00		NIST
Inp	1450.00		NIST
Tboil	519.03	K	Relay (1.0) Calculated Property
Tc	660.83	K	Relay (1.0) Calculated Property
Tfus	243.18	K	Relay (1.0) Calculated Property
Vc	0.847	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[649.44; 728.00]	J/mol×K	[666.00; 836.73]
Cp,gas	649.44	J/mol×K	666.00	Joback Calculated Property
Cp,gas	664.37	J/mol×K	694.46	Joback Calculated Property
Cp,gas	678.54	J/mol×K	722.91	Joback Calculated Property
Cp,gas	691.97	J/mol×K	751.37	Joback Calculated Property
Cp,gas	704.68	J/mol×K	779.82	Joback Calculated Property
Cp,gas	716.69	J/mol×K	808.28	Joback Calculated Property
Cp,gas	728.00	J/mol×K	836.73	Joback Calculated Property

Similar Compounds

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

Sources

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

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