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

• 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	0.4293		Relay (1.0) Calculated Property
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	1901.92	kPa	Joback Calculated Property
Tboil	391.52	K	Relay (1.0) Calculated Property
Tc	558.37	K	Relay (1.0) Calculated Property
Tfus	266.67	K	Relay (1.0) Calculated Property
Vc	0.670	m3/kmol	Relay (1.0) Calculated Property

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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[373.10; 446.39]	J/mol×K	[389.60; 522.63]
Cp,gas	373.10	J/mol×K	389.60	Joback Calculated Property
Cp,gas	389.63	J/mol×K	411.77	Joback Calculated Property
Cp,gas	404.19	J/mol×K	433.94	Joback Calculated Property
Cp,gas	416.96	J/mol×K	456.11	Joback Calculated Property
Cp,gas	428.13	J/mol×K	478.29	Joback Calculated Property
Cp,gas	437.88	J/mol×K	500.46	Joback Calculated Property
Cp,gas	446.39	J/mol×K	522.63	Joback Calculated Property
ΔfusH	2.63	kJ/mol	177.50	NIST

Similar Compounds

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

Sources

• 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.
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