Chemical Properties of Glutaric acid, 1-cyclopentylethyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C15H23F3O4/c1-10(12-6-3-4-7-12)21-13(19)8-5-9-14(20)22-11(2)15(16,17)18/h10-12H,3-9H2,1-2H3

InChI Key

YAJZLSJZUNNAPV-UHFFFAOYSA-N

Formula

C15H23F3O4

SMILES

CC(OC(=O)CCCC(=O)OC(C)C(F)(F)F)C1CCCC1

Molecular Weight¹

324.34

• 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°	-942.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1389.69	kJ/mol	Joback Calculated Property
ΔfusH°	28.89	kJ/mol	Joback Calculated Property
ΔvapH°	63.03	kJ/mol	Joback Calculated Property
log10WS	-4.37		Crippen Calculated Property
logPoct/wat	3.773		Crippen Calculated Property
McVol	231.540	ml/mol	McGowan Calculated Property
Pc	1618.07	kPa	Joback Calculated Property
Inp	[1632.00; 1632.00]
Inp	1632.00		NIST
Inp	1632.00		NIST
Tboil	704.16	K	Joback Calculated Property
Tc	891.07	K	Joback Calculated Property
Tfus	388.22	K	Joback Calculated Property
Vc	0.895	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[695.31; 780.37]	J/mol×K	[704.16; 891.07]
Cp,gas	695.31	J/mol×K	704.16	Joback Calculated Property
Cp,gas	711.91	J/mol×K	735.31	Joback Calculated Property
Cp,gas	727.49	J/mol×K	766.46	Joback Calculated Property
Cp,gas	742.10	J/mol×K	797.62	Joback Calculated Property
Cp,gas	755.77	J/mol×K	828.77	Joback Calculated Property
Cp,gas	768.51	J/mol×K	859.92	Joback Calculated Property
Cp,gas	780.37	J/mol×K	891.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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