Chemical Properties of 2,3'5,6'-Tetrahydro[2.2]paracyclophane (CAS 26050-79-3)

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

212.33

CAS

26050-79-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	285.84	kJ/mol	Joback Calculated Property
ΔfH°gas	47.97	kJ/mol	Joback Calculated Property
ΔfusH°	17.02	kJ/mol	Joback Calculated Property
ΔvapH°	56.90	kJ/mol	Joback Calculated Property
IE	[8.00; 8.40]	eV
IE	8.00	eV	NIST
IE	8.40	eV	NIST
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	4.854		Crippen Calculated Property
McVol	186.520	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Tboil	646.16	K	Joback Calculated Property
Tc	898.51	K	Joback Calculated Property
Tfus	365.10	K	Joback Calculated Property
Vc	0.694	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.70; 608.49]	J/mol×K	[646.16; 898.51]
Cp,gas	501.70	J/mol×K	646.16	Joback Calculated Property
Cp,gas	523.28	J/mol×K	688.22	Joback Calculated Property
Cp,gas	543.19	J/mol×K	730.28	Joback Calculated Property
Cp,gas	561.54	J/mol×K	772.33	Joback Calculated Property
Cp,gas	578.46	J/mol×K	814.39	Joback Calculated Property
Cp,gas	594.07	J/mol×K	856.45	Joback Calculated Property
Cp,gas	608.49	J/mol×K	898.51	Joback Calculated Property
η	[0.0002205; 0.0021672]	Pa×s	[365.10; 646.16]
η	0.0021672	Pa×s	365.10	Joback Calculated Property
η	0.0011925	Pa×s	411.94	Joback Calculated Property
η	0.0007413	Pa×s	458.79	Joback Calculated Property
η	0.0005032	Pa×s	505.63	Joback Calculated Property
η	0.0003648	Pa×s	552.47	Joback Calculated Property
η	0.0002781	Pa×s	599.32	Joback Calculated Property
η	0.0002205	Pa×s	646.16	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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