Chemical Properties of trans-Perfluorobicyclo[4,3.0]nonane

InChI

InChI=1S/C9F16/c10-1-2(11,4(14,15)7(20,21)3(1,12)13)6(18,19)9(24,25)8(22,23)5(1,16)17/t1-,2-/m1/s1

InChI Key

NLQOEOVORMKOIY-LWMBPPNESA-N

Formula

C9F16

SMILES

FC1(F)C(F)(F)C(F)(F)[C@]2(F)C(F)(F)C(F)(F)C(F)(F)[C@@]2(F)C1(F)F

Molecular Weight¹

412.07

Other Names

• trans-Perfluorobicyclo[4.3.0]nonane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• 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	0.5311		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔcH°liquid	-3147.50 ± 4.90	kJ/mol	NIST
ΔfH°gas	-3217.00 ± 5.10	kJ/mol	NIST
ΔfH°liquid	-3257.60 ± 5.10	kJ/mol	NIST
ΔfusH°	9.13	kJ/mol	Joback Calculated Property
ΔvapH°	[40.60; 45.20]	kJ/mol
ΔvapH°	45.20 ± 0.10	kJ/mol	NIST
ΔvapH°	40.60 ± 0.10	kJ/mol	NIST
IE	12.43	eV	Relay (1.0) Calculated Property
log10WS	-6.64		Relay (1.0) Calculated Property
logPoct/wat	4.877		Crippen Calculated Property
McVol	144.270	ml/mol	McGowan Calculated Property
Pc	1680.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tboil	391.52	K	Relay (1.0) Calculated Property
Tc	526.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus	266.67	K	Relay (1.0) Calculated Property
Vc	0.646	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.53; 674.17]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.32030e+02
Coefficient B			3.76220e+00
Coefficient C			-5.43500e-03
Coefficient D			2.77900e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.53	J/mol×K	273.00	Calculated Property
Cp,gas	341.76	J/mol×K	353.78	Calculated Property
Cp,gas	404.56	J/mol×K	434.56	Calculated Property
Cp,gas	443.72	J/mol×K	515.33	Calculated Property
Cp,gas	468.01	J/mol×K	596.11	Calculated Property
Cp,gas	486.23	J/mol×K	676.89	Calculated Property
Cp,gas	507.17	J/mol×K	757.67	Calculated Property
Cp,gas	539.61	J/mol×K	838.44	Calculated Property
Cp,gas	592.35	J/mol×K	919.22	Calculated Property
Cp,gas	674.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to trans-Perfluorobicyclo[4,3.0]nonane.

Sources

• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.