Chemical Properties of Tricyclo[6.1.0.0]nonane-(1«alpha»,2«alpha»,4«alpha»,8«alpha»)- (CAS 81969-71-3)

InChI

InChI=1S/C9H14/c1-2-6-4-8(6)9-5-7(9)3-1/h6-9H,1-5H2/t6-,7+,8+,9-

InChI Key

UUVWYZVMXOZWNF-OJOKCITNSA-N

Formula

C9H14

SMILES

C1CC2CC2C2CC2C1

Molecular Weight¹

122.21

CAS

81969-71-3

• 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_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
ΔfH°gas	34.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.54	kJ/mol	Joback Calculated Property
ΔvapH°	44.98	kJ/mol	Relay (1.0) Calculated Property
IE	[8.30; 8.95]	eV
IE	8.30	eV	NIST
IE	8.95	eV	NIST
log10WS	-5.18		Relay (1.0) Calculated Property
logPoct/wat	2.442		Crippen Calculated Property
McVol	105.090	ml/mol	McGowan Calculated Property
Pc	3360.64	kPa	Joback Calculated Property
Tboil	435.00	K	Relay (1.0) Calculated Property
Tc	679.24	K	Relay (1.0) Calculated Property
Tfus	326.41	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	[128.34; 429.52]	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			-1.50080e+02
Coefficient B			1.28500e+00
Coefficient C			-1.07100e-03
Coefficient D			3.65600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	128.34	J/mol×K	273.00	Calculated Property
Cp,gas	186.67	J/mol×K	353.78	Calculated Property
Cp,gas	236.08	J/mol×K	434.56	Calculated Property
Cp,gas	277.73	J/mol×K	515.33	Calculated Property
Cp,gas	312.79	J/mol×K	596.11	Calculated Property
Cp,gas	342.40	J/mol×K	676.89	Calculated Property
Cp,gas	367.72	J/mol×K	757.67	Calculated Property
Cp,gas	389.91	J/mol×K	838.44	Calculated Property
Cp,gas	410.13	J/mol×K	919.22	Calculated Property
Cp,gas	429.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003258; 0.0010808]	Pa×s	[240.77; 440.20]	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			-5.38225e+00
Coefficient B			-6.37330e+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.			240.77
Temperature range, max.			440.20
η	0.0003258	Pa×s	240.77	Calculated Property
η	0.0004072	Pa×s	262.93	Calculated Property
η	0.0004916	Pa×s	285.09	Calculated Property
η	0.0005776	Pa×s	307.25	Calculated Property
η	0.0006641	Pa×s	329.41	Calculated Property
η	0.0007503	Pa×s	351.56	Calculated Property
η	0.0008354	Pa×s	373.72	Calculated Property
η	0.0009191	Pa×s	395.88	Calculated Property
η	0.0010009	Pa×s	418.04	Calculated Property
η	0.0010808	Pa×s	440.20	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[6.1.0.0]nonane-(1«alpha»,2«alpha»,4«alpha»,8«alpha»)-.

Sources

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

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