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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5760.32 ± 0.92	kJ/mol	NIST
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	-4.90		Relay (1.0) 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	437.89	K	Relay (1.0) Calculated Property
Tc	670.27	K	Relay (1.0) Calculated Property
Tfus	270.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.84; 448.46]	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			-1.21140e+02
Coefficient B			1.13180e+00
Coefficient C			-7.67000e-04
Coefficient D			2.04800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.84	J/mol×K	273.00	Calculated Property
Cp,gas	192.34	J/mol×K	353.78	Calculated Property
Cp,gas	242.66	J/mol×K	434.56	Calculated Property
Cp,gas	286.45	J/mol×K	515.33	Calculated Property
Cp,gas	324.37	J/mol×K	596.11	Calculated Property
Cp,gas	357.06	J/mol×K	676.89	Calculated Property
Cp,gas	385.16	J/mol×K	757.67	Calculated Property
Cp,gas	409.33	J/mol×K	838.44	Calculated Property
Cp,gas	430.22	J/mol×K	919.22	Calculated Property
Cp,gas	448.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026731; 0.0004201]	Pa×s	[216.51; 453.73]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.46389e+00
Coefficient B			7.66310e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			216.51
Temperature range, max.			453.73
η	0.0026731	Pa×s	216.51	Calculated Property
η	0.0018205	Pa×s	242.87	Calculated Property
η	0.0013367	Pa×s	269.23	Calculated Property
η	0.0010371	Pa×s	295.58	Calculated Property
η	0.0008387	Pa×s	321.94	Calculated Property
η	0.0007005	Pa×s	348.30	Calculated Property
η	0.0006000	Pa×s	374.66	Calculated Property
η	0.0005246	Pa×s	401.01	Calculated Property
η	0.0004662	Pa×s	427.37	Calculated Property
η	0.0004201	Pa×s	453.73	Calculated Property

Similar Compounds

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

Sources

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

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