Chemical Properties of Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene (CAS 2913-24-8)

InChI

InChI=1S/C18H20/c1-3-15-7-11-17(12-8-15)5-2-6-18-13-9-16(4-1)10-14-18/h7-14H,1-6H2

InChI Key

RUVOYPXKKFOGBH-UHFFFAOYSA-N

Formula

C18H20

SMILES

c1cc2ccc1CCCc1ccc(cc1)CCC2

Molecular Weight¹

236.35

CAS

2913-24-8

Other Names

• [3.3]Paracyclophane
• [3,3']-Paracyclophane
• Tricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔcH°solid	-9967.80 ± 1.80	kJ/mol	NIST
ΔfG°	338.40	kJ/mol	Joback Calculated Property
ΔfH°gas	129.40 ± 3.70	kJ/mol	NIST
ΔfH°solid	26.20 ± 2.60	kJ/mol	NIST
ΔfusH°	20.44	kJ/mol	Joback Calculated Property
ΔsubH°	[103.20; 103.30]	kJ/mol
ΔsubH°	103.30 ± 1.00	kJ/mol	NIST
ΔsubH°	103.20	kJ/mol	NIST
ΔvapH°	62.28	kJ/mol	Joback Calculated Property
log10WS	-5.39		Crippen Calculated Property
logPoct/wat	4.351		Crippen Calculated Property
McVol	206.100	ml/mol	McGowan Calculated Property
Pc	2320.31	kPa	Joback Calculated Property
Tboil	698.78	K	Joback Calculated Property
Tc	961.20	K	Joback Calculated Property
Tfus	382.12	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.21; 672.26]	J/mol×K	[698.78; 961.20]
Cp,gas	568.21	J/mol×K	698.78	Joback Calculated Property
Cp,gas	589.75	J/mol×K	742.52	Joback Calculated Property
Cp,gas	609.45	J/mol×K	786.25	Joback Calculated Property
Cp,gas	627.43	J/mol×K	829.99	Joback Calculated Property
Cp,gas	643.81	J/mol×K	873.73	Joback Calculated Property
Cp,gas	658.71	J/mol×K	917.46	Joback Calculated Property
Cp,gas	672.26	J/mol×K	961.20	Joback Calculated Property
Cp,solid	324.30	J/mol×K	300.00	NIST
η	[0.0001071; 0.0017212]	Pa×s	[382.12; 698.78]
η	0.0017212	Pa×s	382.12	Joback Calculated Property
η	0.0008182	Pa×s	434.90	Joback Calculated Property
η	0.0004569	Pa×s	487.67	Joback Calculated Property
η	0.0002859	Pa×s	540.45	Joback Calculated Property
η	0.0001944	Pa×s	593.23	Joback Calculated Property
η	0.0001408	Pa×s	646.00	Joback Calculated Property
η	0.0001071	Pa×s	698.78	Joback Calculated Property
ΔfusH	11.76	kJ/mol	377.00	NIST
ΔsubH	[97.80; 103.00]	kJ/mol	[332.00; 332.50]
ΔsubH	97.80	kJ/mol	332.00	NIST
ΔsubH	103.00 ± 1.00	kJ/mol	332.50	NIST

Similar Compounds

Find more compounds similar to Tricyclo[10.2.2.2(5,8)]octadeca-5,7,12,14,15,17-hexaene.

Sources

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

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