Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester

InChI

InChI=1S/C15H25F3O4/c1-9(2)14(10(3)4)22-13(20)8-6-7-12(19)21-11(5)15(16,17)18/h9-11,14H,6-8H2,1-5H3

InChI Key

KGNIRPANTVALEA-UHFFFAOYSA-N

Formula

C15H25F3O4

SMILES

CC(C)C(OC(=O)CCCC(=O)OC(C)C(F)(F)F)C(C)C

Molecular Weight¹

326.35

• 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°	-983.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1460.73	kJ/mol	Joback Calculated Property
ΔfusH°	27.91	kJ/mol	Joback Calculated Property
ΔvapH°	62.00	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.875		Crippen Calculated Property
McVol	242.400	ml/mol	McGowan Calculated Property
Pc	1423.99	kPa	Joback Calculated Property
Inp	[1492.00; 1492.00]
Inp	1492.00		NIST
Inp	1492.00		NIST
Tboil	688.00	K	Joback Calculated Property
Tc	863.04	K	Joback Calculated Property
Tfus	347.32	K	Joback Calculated Property
Vc	0.943	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[705.05; 787.52]	J/mol×K	[688.00; 863.04]
Cp,gas	705.05	J/mol×K	688.00	Joback Calculated Property
Cp,gas	720.84	J/mol×K	717.17	Joback Calculated Property
Cp,gas	735.78	J/mol×K	746.35	Joback Calculated Property
Cp,gas	749.91	J/mol×K	775.52	Joback Calculated Property
Cp,gas	763.23	J/mol×K	804.70	Joback Calculated Property
Cp,gas	775.76	J/mol×K	833.87	Joback Calculated Property
Cp,gas	787.52	J/mol×K	863.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4-dimethylpent-3-yl ester.

Sources

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

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