Chemical Properties of [2.2.2.2.2.2](1,2,3,4,5,6)Cyclophane (CAS 60144-50-5)

InChI

InChI=1S/C24H24/c1-2-14-17-5-3-15-13(1)16-4-6-18(14)22-10-8-20(16)23-11-12-24(22)21(17)9-7-19(15)23/h1-12H2

InChI Key

BVTYOCKAKQQPEE-UHFFFAOYSA-N

Formula

C24H24

SMILES

C1Cc2c3c4c5c6c2CCc2c1c(c(c(c2CC6)CC5)CC4)CC3

Molecular Weight¹

312.45

CAS

60144-50-5

• 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°	658.32	kJ/mol	Joback Calculated Property
ΔfH°gas	303.85	kJ/mol	Joback Calculated Property
ΔfusH°	33.73	kJ/mol	Joback Calculated Property
ΔvapH°	80.78	kJ/mol	Joback Calculated Property
IE	[7.30; 7.55]	eV
IE	7.30	eV	NIST
IE	7.55 ± 0.02	eV	NIST
log10WS	-7.20		Crippen Calculated Property
logPoct/wat	3.965		Crippen Calculated Property
McVol	247.200	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Tboil	895.92	K	Joback Calculated Property
Tc	1148.08	K	Joback Calculated Property
Tfus	659.74	K	Joback Calculated Property
Vc	0.978	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[802.08; 927.97]	J/mol×K	[895.92; 1148.08]
Cp,gas	802.08	J/mol×K	895.92	Joback Calculated Property
Cp,gas	821.25	J/mol×K	937.95	Joback Calculated Property
Cp,gas	840.67	J/mol×K	979.97	Joback Calculated Property
Cp,gas	860.69	J/mol×K	1022.00	Joback Calculated Property
Cp,gas	881.67	J/mol×K	1064.03	Joback Calculated Property
Cp,gas	903.98	J/mol×K	1106.05	Joback Calculated Property
Cp,gas	927.97	J/mol×K	1148.08	Joback Calculated Property
η	[0.0196596; 0.0208212]	Pa×s	[659.74; 895.92]
η	0.0208212	Pa×s	659.74	Joback Calculated Property
η	0.0205675	Pa×s	699.10	Joback Calculated Property
η	0.0203434	Pa×s	738.47	Joback Calculated Property
η	0.0201441	Pa×s	777.83	Joback Calculated Property
η	0.0199657	Pa×s	817.19	Joback Calculated Property
η	0.0198051	Pa×s	856.56	Joback Calculated Property
η	0.0196596	Pa×s	895.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to [2.2.2.2.2.2](1,2,3,4,5,6)Cyclophane.

Sources

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

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