Chemical Properties of trans-Perfluorobicyclo[4,3.0]nonane (CAS 75240-06-1)

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-/m0/s1

InChI Key

NLQOEOVORMKOIY-LWMBPPNESA-N

Formula

C9F16

SMILES

FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F

Molecular Weight¹

412.07

CAS

75240-06-1

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_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).
• 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
ΔcH°liquid	-3147.50 ± 4.90	kJ/mol	NIST
ΔfG°	-3110.24	kJ/mol	Joback Calculated Property
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
log10WS	-5.51		Crippen 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	389.40	K	Joback Calculated Property
Tc	522.36	K	Joback Calculated Property
Tfus	411.37	K	Joback Calculated Property
Vc	0.693	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.94; 446.29]	J/mol×K	[389.40; 522.36]
Cp,gas	372.94	J/mol×K	389.40	Joback Calculated Property
Cp,gas	389.48	J/mol×K	411.56	Joback Calculated Property
Cp,gas	404.05	J/mol×K	433.72	Joback Calculated Property
Cp,gas	416.84	J/mol×K	455.88	Joback Calculated Property
Cp,gas	428.02	J/mol×K	478.04	Joback Calculated Property
Cp,gas	437.78	J/mol×K	500.20	Joback Calculated Property
Cp,gas	446.29	J/mol×K	522.36	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

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

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