Chemical Properties of Linalool, pentafluoropropionate

InChI

InChI=1S/C13H17F5O2/c1-5-11(4,8-6-7-9(2)3)20-10(19)12(14,15)13(16,17)18/h5,7H,1,6,8H2,2-4H3

InChI Key

SNDNFABRJVXQNR-UHFFFAOYSA-N

Formula

C13H17F5O2

SMILES

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

Molecular Weight¹

300.26

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4803		Relay (1.0) Calculated Property
ΔfG°	-981.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1499.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.98	kJ/mol	Joback Calculated Property
ΔvapH°	61.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	4.418		Crippen Calculated Property
McVol	201.720	ml/mol	McGowan Calculated Property
Pc	1614.17	kPa	Joback Calculated Property
Inp	[1312.40; 1312.40]
Inp	1312.40		NIST
Inp	1312.40		NIST
Tboil	451.76	K	Relay (1.0) Calculated Property
Tc	581.55	K	Relay (1.0) Calculated Property
Tfus	231.47	K	Relay (1.0) Calculated Property
Vc	0.713	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.71; 600.88]	J/mol×K	[560.51; 730.79]
Cp,gas	524.71	J/mol×K	560.51	Joback Calculated Property
Cp,gas	539.53	J/mol×K	588.89	Joback Calculated Property
Cp,gas	553.42	J/mol×K	617.27	Joback Calculated Property
Cp,gas	566.45	J/mol×K	645.65	Joback Calculated Property
Cp,gas	578.67	J/mol×K	674.03	Joback Calculated Property
Cp,gas	590.13	J/mol×K	702.41	Joback Calculated Property
Cp,gas	600.88	J/mol×K	730.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Linalool, pentafluoropropionate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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