Chemical Properties of Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-octyl ester

InChI

InChI=1S/C16H26F4O4/c1-3-4-5-6-8-12(2)24-14(22)10-7-9-13(21)23-11-16(19,20)15(17)18/h12,15H,3-11H2,1-2H3

InChI Key

LAMFLOQLKDOKCZ-UHFFFAOYSA-N

Formula

C16H26F4O4

SMILES

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

Molecular Weight¹

358.37

• 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	0.8679		Relay (1.0) Calculated Property
ΔfG°	-1165.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1787.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.63	kJ/mol	Joback Calculated Property
ΔvapH°	83.52	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-4.52		Relay (1.0) Calculated Property
logPoct/wat	4.502		Crippen Calculated Property
McVol	258.260	ml/mol	McGowan Calculated Property
Pc	1269.16	kPa	Joback Calculated Property
Inp	[1760.00; 1760.00]
Inp	1760.00		NIST
Inp	1760.00		NIST
Tboil	557.71	K	Relay (1.0) Calculated Property
Tc	708.11	K	Relay (1.0) Calculated Property
Tfus	285.47	K	Relay (1.0) Calculated Property
Vc	0.976	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.73; 848.59]	J/mol×K	[711.03; 879.36]
Cp,gas	767.73	J/mol×K	711.03	Joback Calculated Property
Cp,gas	783.15	J/mol×K	739.08	Joback Calculated Property
Cp,gas	797.76	J/mol×K	767.14	Joback Calculated Property
Cp,gas	811.60	J/mol×K	795.19	Joback Calculated Property
Cp,gas	824.66	J/mol×K	823.25	Joback Calculated Property
Cp,gas	836.99	J/mol×K	851.30	Joback Calculated Property
Cp,gas	848.59	J/mol×K	879.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-octyl ester.

Sources

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

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