Chemical Properties of 2,3'5,6'-Tetrahydro[2.2]paracyclophane

InChI

InChI=1S/C16H20/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1,4-5,8H,2-3,6-7,9-12H2

InChI Key

SOYXMIFOQRQXKU-UHFFFAOYSA-N

Formula

C16H20

SMILES

C1=C2CC=C(C1)CCC1=CCC(=CC1)CC2

Molecular Weight¹

212.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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
ΔfusH°	17.02	kJ/mol	Joback Calculated Property
IE	[8.00; 8.40]	eV
IE	8.00	eV	NIST
IE	8.40	eV	NIST
logPoct/wat	4.854		Crippen Calculated Property
McVol	186.520	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[501.80; 608.58]	J/mol×K	[646.36; 898.78]
Cp,gas	501.80	J/mol×K	646.36	Joback Calculated Property
Cp,gas	523.38	J/mol×K	688.43	Joback Calculated Property
Cp,gas	543.29	J/mol×K	730.50	Joback Calculated Property
Cp,gas	561.64	J/mol×K	772.57	Joback Calculated Property
Cp,gas	578.56	J/mol×K	814.64	Joback Calculated Property
Cp,gas	594.17	J/mol×K	856.71	Joback Calculated Property
Cp,gas	608.58	J/mol×K	898.78	Joback Calculated Property
η	[0.0002203; 0.0021672]	Pa×s	[365.10; 646.36]
η	0.0021672	Pa×s	365.10	Joback Calculated Property
η	0.0011920	Pa×s	411.98	Joback Calculated Property
η	0.0007408	Pa×s	458.85	Joback Calculated Property
η	0.0005029	Pa×s	505.73	Joback Calculated Property
η	0.0003645	Pa×s	552.61	Joback Calculated Property
η	0.0002779	Pa×s	599.48	Joback Calculated Property
η	0.0002203	Pa×s	646.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3'5,6'-Tetrahydro[2.2]paracyclophane.

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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