Chemical Properties of (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C17H15F5O2/c1-17(2)8-4-3-7(9(17)5-8)6-24-16(23)10-11(18)13(20)15(22)14(21)12(10)19/h3,8-9H,4-6H2,1-2H3

InChI Key

NVADTXGNFOKTEH-UHFFFAOYSA-N

Formula

C17H15F5O2

SMILES

CC1(C)C2CC=C(COC(=O)c3c(F)c(F)c(F)c(F)c3F)C1C2

Molecular Weight¹

346.29

• 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	0.6171		Relay (... Calculated Property
ΔfG°	-934.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1018.49	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.84	kJ/mol	Joback Calculated Property
ΔvapH°	84.70	kJ/mol	Relay (... Calculated Property
IE	9.19	eV	Relay (... Calculated Property
log10WS	-6.84		Relay (... Calculated Property
logPoct/wat	4.531		Crippen Calculated Property
McVol	216.900	ml/mol	McGowan Calculated Property
Pc	1659.19	kPa	Joback Calculated Property
Inp	[1773.00; 1773.00]
Inp	1773.00		NIST
Inp	1773.00		NIST
Tboil	574.29	K	Relay (... Calculated Property
Tc	833.21	K	Relay (... Calculated Property
Tfus	344.77	K	Relay (... Calculated Property
Vc	0.786	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[636.92; 717.53]	J/mol×K	[730.04; 925.84]
Cp,gas	636.92	J/mol×K	730.04	Joback Calculated Property
Cp,gas	651.39	J/mol×K	762.67	Joback Calculated Property
Cp,gas	665.32	J/mol×K	795.31	Joback Calculated Property
Cp,gas	678.79	J/mol×K	827.94	Joback Calculated Property
Cp,gas	691.92	J/mol×K	860.57	Joback Calculated Property
Cp,gas	704.80	J/mol×K	893.21	Joback Calculated Property
Cp,gas	717.53	J/mol×K	925.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2,3,4,5,6-pentafluorobenzoate.

Sources

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

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