Chemical Properties of Tricyclo[4.2.0.02,5]octane, syn-

InChI

InChI=1S/C8H12/c1-2-6-5(1)7-3-4-8(6)7/h5-8H,1-4H2/t5-,6+,7-,8+

InChI Key

YTZCZYFFHKYOBJ-KVFPUHGPSA-N

Formula

C8H12

SMILES

C1C[C@H]2[C@@H]1[C@H]1CC[C@@H]21

Molecular Weight¹

108.18

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-5056.00 ± 4.00	kJ/mol	NIST
ΔfH°gas	235.00 ± 4.20	kJ/mol	NIST
ΔfH°liquid	193.00 ± 4.00	kJ/mol	NIST
ΔfusH°	14.05	kJ/mol	Joback Calculated Property
ΔvapH°	[41.80; 42.00]	kJ/mol
ΔvapH°	41.80 ± 1.70	kJ/mol	NIST
ΔvapH°	42.00 ± 2.00	kJ/mol	NIST
ΔvapH°	42.00	kJ/mol	NIST
IE	9.18	eV	NIST
logPoct/wat	2.052		Crippen Calculated Property
McVol	91.000	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[112.02; 376.15]	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			-1.44050e+02
Coefficient B			1.19960e+00
Coefficient C			-1.06300e-03
Coefficient D			3.83600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.02	J/mol×K	273.00	Calculated Property
Cp,gas	164.28	J/mol×K	353.78	Calculated Property
Cp,gas	207.99	J/mol×K	434.56	Calculated Property
Cp,gas	244.34	J/mol×K	515.33	Calculated Property
Cp,gas	274.57	J/mol×K	596.11	Calculated Property
Cp,gas	299.87	J/mol×K	676.89	Calculated Property
Cp,gas	321.47	J/mol×K	757.67	Calculated Property
Cp,gas	340.57	J/mol×K	838.44	Calculated Property
Cp,gas	358.39	J/mol×K	919.22	Calculated Property
Cp,gas	376.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001567; 0.0009360]	Pa×s	[233.02; 416.65]	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			-4.70617e+00
Coefficient B			-9.44860e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			233.02
Temperature range, max.			416.65
η	0.0001567	Pa×s	233.02	Calculated Property
η	0.0002172	Pa×s	253.42	Calculated Property
η	0.0002868	Pa×s	273.83	Calculated Property
η	0.0003643	Pa×s	294.23	Calculated Property
η	0.0004487	Pa×s	314.63	Calculated Property
η	0.0005387	Pa×s	335.04	Calculated Property
η	0.0006334	Pa×s	355.44	Calculated Property
η	0.0007317	Pa×s	375.85	Calculated Property
η	0.0008328	Pa×s	396.25	Calculated Property
η	0.0009360	Pa×s	416.65	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.2.0.02,5]octane, syn-.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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