Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl pentafluorobenzyl ester

InChI

InChI=1S/C17H17F5O4/c1-9(2)6-7-25-11(23)4-3-5-12(24)26-8-10-13(18)15(20)17(22)16(21)14(10)19/h6H,3-5,7-8H2,1-2H3

InChI Key

OVEWEPQOJMWZBS-UHFFFAOYSA-N

Formula

C17H17F5O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

380.31

• 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	0.8337		Relay (1.0) Calculated Property
ΔfG°	-1213.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-1490.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.75	kJ/mol	Joback Calculated Property
ΔvapH°	90.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-6.18		Relay (1.0) Calculated Property
logPoct/wat	4.105		Crippen Calculated Property
McVol	246.060	ml/mol	McGowan Calculated Property
Pc	1402.74	kPa	Joback Calculated Property
Inp	[1998.00; 1998.00]
Inp	1998.00		NIST
Inp	1998.00		NIST
Tboil	595.23	K	Relay (1.0) Calculated Property
Tc	763.92	K	Relay (1.0) Calculated Property
Tfus	315.74	K	Relay (1.0) Calculated Property
Vc	0.903	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[713.21; 776.79]	J/mol×K	[792.91; 979.26]
Cp,gas	713.21	J/mol×K	792.91	Joback Calculated Property
Cp,gas	725.73	J/mol×K	823.97	Joback Calculated Property
Cp,gas	737.46	J/mol×K	855.03	Joback Calculated Property
Cp,gas	748.43	J/mol×K	886.09	Joback Calculated Property
Cp,gas	758.63	J/mol×K	917.15	Joback Calculated Property
Cp,gas	768.08	J/mol×K	948.21	Joback Calculated Property
Cp,gas	776.79	J/mol×K	979.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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