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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.00; 274.26]	J/mol×K	[393.92; 595.22]
Cp,gas	187.00	J/mol×K	393.92	Joback Calculated Property
Cp,gas	204.46	J/mol×K	427.47	Joback Calculated Property
Cp,gas	220.65	J/mol×K	461.02	Joback Calculated Property
Cp,gas	235.63	J/mol×K	494.57	Joback Calculated Property
Cp,gas	249.50	J/mol×K	528.12	Joback Calculated Property
Cp,gas	262.35	J/mol×K	561.67	Joback Calculated Property
Cp,gas	274.26	J/mol×K	595.22	Joback Calculated Property
η	[0.0001567; 0.0008212]	Pa×s	[233.02; 393.92]
η	0.0001567	Pa×s	233.02	Joback Calculated Property
η	0.0002382	Pa×s	259.84	Joback Calculated Property
η	0.0003347	Pa×s	286.65	Joback Calculated Property
η	0.0004437	Pa×s	313.47	Joback Calculated Property
η	0.0005627	Pa×s	340.29	Joback Calculated Property
η	0.0006892	Pa×s	367.10	Joback Calculated Property
η	0.0008212	Pa×s	393.92	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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