Chemical Properties of Hexanoic acid, 3 3,5,5-trimethyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI

InChI=1S/C14H20F8O2/c1-8(6-11(2,3)4)5-9(23)24-7-12(17,18)14(21,22)13(19,20)10(15)16/h8,10H,5-7H2,1-4H3

InChI Key

QCHHKNOVZLICRC-UHFFFAOYSA-N

Formula

C14H20F8O2

SMILES

CC(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC(C)(C)C

Molecular Weight¹

372.29

• 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°	-1718.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-2191.53	kJ/mol	Joback Calculated Property
ΔfusH°	22.74	kJ/mol	Joback Calculated Property
ΔvapH°	43.42	kJ/mol	Joback Calculated Property
log10WS	-5.32		Crippen Calculated Property
logPoct/wat	5.163		Crippen Calculated Property
McVol	229.720	ml/mol	McGowan Calculated Property
Pc	1290.21	kPa	Joback Calculated Property
Inp	[1275.00; 1275.00]
Inp	1275.00		NIST
Inp	1275.00		NIST
Tboil	576.37	K	Joback Calculated Property
Tc	730.34	K	Joback Calculated Property
Tfus	304.10	K	Joback Calculated Property
Vc	0.931	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.95; 723.60]	J/mol×K	[576.37; 730.34]
Cp,gas	642.95	J/mol×K	576.37	Joback Calculated Property
Cp,gas	658.45	J/mol×K	602.03	Joback Calculated Property
Cp,gas	673.07	J/mol×K	627.69	Joback Calculated Property
Cp,gas	686.86	J/mol×K	653.35	Joback Calculated Property
Cp,gas	699.84	J/mol×K	679.01	Joback Calculated Property
Cp,gas	712.08	J/mol×K	704.68	Joback Calculated Property
Cp,gas	723.60	J/mol×K	730.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3 3,5,5-trimethyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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

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