Chemical Properties of Glutaric acid, 2-methylhex-3-yl 2-(pentafluorophenoxy)ethyl ester

InChI

InChI=1S/C20H25F5O5/c1-4-6-12(11(2)3)30-14(27)8-5-7-13(26)28-9-10-29-20-18(24)16(22)15(21)17(23)19(20)25/h11-12H,4-10H2,1-3H3

InChI Key

VLEWIYLGDUSBDZ-UHFFFAOYSA-N

Formula

C20H25F5O5

SMILES

CCCC(OC(=O)CCCC(=O)OCCOc1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

440.40

• 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).
• 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
ΔfG°	-1369.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1889.88	kJ/mol	Joback Calculated Property
ΔfusH°	54.77	kJ/mol	Joback Calculated Property
ΔvapH°	81.56	kJ/mol	Joback Calculated Property
log10WS	-6.29		Crippen Calculated Property
logPoct/wat	4.842		Crippen Calculated Property
McVol	298.500	ml/mol	McGowan Calculated Property
Pc	1099.35	kPa	Joback Calculated Property
Inp	[2316.00; 2316.00]
Inp	2316.00		NIST
Inp	2316.00		NIST
Tboil	879.05	K	Joback Calculated Property
Tc	1076.28	K	Joback Calculated Property
Tfus	543.68	K	Joback Calculated Property
Vc	1.192	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[941.34; 1008.00]	J/mol×K	[879.05; 1076.28]
Cp,gas	941.34	J/mol×K	879.05	Joback Calculated Property
Cp,gas	955.46	J/mol×K	911.92	Joback Calculated Property
Cp,gas	968.39	J/mol×K	944.79	Joback Calculated Property
Cp,gas	980.11	J/mol×K	977.66	Joback Calculated Property
Cp,gas	990.62	J/mol×K	1010.53	Joback Calculated Property
Cp,gas	999.92	J/mol×K	1043.40	Joback Calculated Property
Cp,gas	1008.00	J/mol×K	1076.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-methylhex-3-yl 2-(pentafluorophenoxy)ethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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