Chemical Properties of trans-(+)-Bicyclo-[6.1.0]nonane (CAS 39124-79-3)

InChI

InChI=1S/C9H16/c1-2-4-6-9-7-8(9)5-3-1/h8-9H,1-7H2/t8-,9-/m1/s1

InChI Key

FYECUAIUGWFPJF-RKDXNWHRSA-N

Formula

C9H16

SMILES

C1CCCC2CC2CC1

Molecular Weight¹

124.22

CAS

39124-79-3

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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
ΔcH°liquid	-5760.32 ± 0.92	kJ/mol	NIST
ΔfG°	110.10	kJ/mol	Joback Calculated Property
ΔfH°gas	[-39.70; -18.80]	kJ/mol
ΔfH°gas	-18.80 ± 1.10	kJ/mol	NIST
ΔfH°gas	-39.70 ± 3.30	kJ/mol	NIST
ΔfH°liquid	[-82.40; -68.20]	kJ/mol
ΔfH°liquid	-68.20 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-82.40 ± 3.20	kJ/mol	NIST
ΔfusH°	9.04	kJ/mol	Joback Calculated Property
ΔvapH°	[42.70; 49.40]	kJ/mol
ΔvapH°	49.40 ± 0.40	kJ/mol	NIST
ΔvapH°	49.40	kJ/mol	NIST
ΔvapH°	42.70 ± 0.60	kJ/mol	NIST
ΔvapH°	42.70	kJ/mol	NIST
IE	9.36	eV	NIST
log10WS	-2.90		Crippen Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	115.950	ml/mol	McGowan Calculated Property
Pc	3276.53	kPa	Joback Calculated Property
Tboil	431.61	K	Joback Calculated Property
Tc	647.88	K	Joback Calculated Property
Tfus	216.51	K	Joback Calculated Property
Vc	0.429	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.94; 345.88]	J/mol×K	[431.61; 647.88]
Cp,gas	240.94	J/mol×K	431.61	Joback Calculated Property
Cp,gas	261.35	J/mol×K	467.66	Joback Calculated Property
Cp,gas	280.52	J/mol×K	503.70	Joback Calculated Property
Cp,gas	298.50	J/mol×K	539.75	Joback Calculated Property
Cp,gas	315.35	J/mol×K	575.79	Joback Calculated Property
Cp,gas	331.12	J/mol×K	611.84	Joback Calculated Property
Cp,gas	345.88	J/mol×K	647.88	Joback Calculated Property
η	[0.0004581; 0.0026731]	Pa×s	[216.51; 431.61]
η	0.0026731	Pa×s	216.51	Joback Calculated Property
η	0.0016168	Pa×s	252.36	Joback Calculated Property
η	0.0011082	Pa×s	288.21	Joback Calculated Property
η	0.0008258	Pa×s	324.06	Joback Calculated Property
η	0.0006525	Pa×s	359.91	Joback Calculated Property
η	0.0005380	Pa×s	395.76	Joback Calculated Property
η	0.0004581	Pa×s	431.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-(+)-Bicyclo-[6.1.0]nonane.

Sources

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

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