Chemical Properties of Glutaric acid, 3,3,4,4-tetrafluoropropyl hept-4-yl ester

InChI

InChI=1S/C15H24F4O4/c1-3-6-11(7-4-2)23-13(21)9-5-8-12(20)22-10-15(18,19)14(16)17/h11,14H,3-10H2,1-2H3

InChI Key

LFJNBSKPMYDAGJ-UHFFFAOYSA-N

Formula

C15H24F4O4

SMILES

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

Molecular Weight¹

344.34

• 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	0.8266		Relay (1.0) Calculated Property
ΔfG°	-1173.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1757.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.04	kJ/mol	Joback Calculated Property
ΔvapH°	80.73	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-4.16		Relay (1.0) Calculated Property
logPoct/wat	4.112		Crippen Calculated Property
McVol	244.170	ml/mol	McGowan Calculated Property
Pc	1360.63	kPa	Joback Calculated Property
Inp	[1617.00; 1617.00]
Inp	1617.00		NIST
Inp	1617.00		NIST
Tboil	547.94	K	Relay (1.0) Calculated Property
Tc	693.55	K	Relay (1.0) Calculated Property
Tfus	266.18	K	Relay (1.0) Calculated Property
Vc	0.912	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.96; 790.60]	J/mol×K	[688.15; 855.06]
Cp,gas	711.96	J/mol×K	688.15	Joback Calculated Property
Cp,gas	726.91	J/mol×K	715.97	Joback Calculated Property
Cp,gas	741.10	J/mol×K	743.79	Joback Calculated Property
Cp,gas	754.55	J/mol×K	771.61	Joback Calculated Property
Cp,gas	767.27	J/mol×K	799.43	Joback Calculated Property
Cp,gas	779.28	J/mol×K	827.24	Joback Calculated Property
Cp,gas	790.60	J/mol×K	855.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,3,4,4-tetrafluoropropyl hept-4-yl ester.

Sources

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

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