Chemical Properties of Glutaric acid, 2-fluorophenyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C19H27FO4/c1-14(12-19(2,3)4)13-23-17(21)10-7-11-18(22)24-16-9-6-5-8-15(16)20/h5-6,8-9,14H,7,10-13H2,1-4H3

InChI Key

LHGYJCLZQLHEEJ-UHFFFAOYSA-N

Formula

C19H27FO4

SMILES

CC(COC(=O)CCCC(=O)Oc1ccccc1F)CC(C)(C)C

Molecular Weight¹

338.41

• 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°	-450.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-910.17	kJ/mol	Joback Calculated Property
ΔfusH°	36.33	kJ/mol	Joback Calculated Property
ΔvapH°	76.64	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	4.517		Crippen Calculated Property
McVol	271.460	ml/mol	McGowan Calculated Property
Pc	1421.85	kPa	Joback Calculated Property
Inp	[2193.00; 2193.00]
Inp	2193.00		NIST
Inp	2193.00		NIST
Tboil	813.96	K	Joback Calculated Property
Tc	1016.40	K	Joback Calculated Property
Tfus	475.16	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[828.36; 907.15]	J/mol×K	[813.96; 1016.40]
Cp,gas	828.36	J/mol×K	813.96	Joback Calculated Property
Cp,gas	844.14	J/mol×K	847.70	Joback Calculated Property
Cp,gas	858.80	J/mol×K	881.44	Joback Calculated Property
Cp,gas	872.40	J/mol×K	915.18	Joback Calculated Property
Cp,gas	884.96	J/mol×K	948.92	Joback Calculated Property
Cp,gas	896.53	J/mol×K	982.66	Joback Calculated Property
Cp,gas	907.15	J/mol×K	1016.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 2,4,4-trimethylpentyl ester.

Sources

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

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