Chemical Properties of Pentacyclo[18.2.2.2(9,12).0(4,15).0(6,17)]hexacosa-4,6(17),9,11,15,20,22,23,25-nonane (CAS 35117-21-6)

InChI

InChI=1S/C26H26/c1-2-21-10-14-25-17-24-13-9-20-6-4-19(5-7-20)8-12-23(25)18-26(24)15-11-22(3-1)16-21/h1-7,16-18H,8-15H2

InChI Key

REXZNBNRGIQZSK-UHFFFAOYSA-N

Formula

C26H26

SMILES

c1cc2cc(c1)CCc1cc3c(cc1CCc1ccc(cc1)CC3)CC2

Molecular Weight¹

338.48

CAS

35117-21-6

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• 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
ω	0.6577		Relay (... Calculated Property
ΔcH°solid	-14230.90 ± 3.60	kJ/mol	NIST
ΔfG°	569.84	kJ/mol	Joback Calculated Property
ΔfH°gas	409.70 ± 5.60	kJ/mol	NIST
ΔfH°solid	283.80 ± 5.00	kJ/mol	NIST
ΔfusH°	33.20	kJ/mol	Joback Calculated Property
ΔsubH°	[125.90; 125.90]	kJ/mol
ΔsubH°	125.90	kJ/mol	NIST
ΔsubH°	125.90 ± 2.50	kJ/mol	NIST
ΔvapH°	141.37	kJ/mol	Relay (... Calculated Property
IE	7.46	eV	Relay (... Calculated Property
log10WS	-9.03		Relay (... Calculated Property
logPoct/wat	5.454		Crippen Calculated Property
McVol	284.200	ml/mol	McGowan Calculated Property
Pc	1707.53	kPa	Joback Calculated Property
Tboil	770.95	K	Relay (... Calculated Property
Tc	1070.80	K	Relay (... Calculated Property
Tfus	481.77	K	Relay (... Calculated Property
Vc	1.052	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[910.64; 1012.28]	J/mol×K	[930.58; 1201.79]
Cp,gas	910.64	J/mol×K	930.58	Joback Calculated Property
Cp,gas	929.86	J/mol×K	975.78	Joback Calculated Property
Cp,gas	947.84	J/mol×K	1020.98	Joback Calculated Property
Cp,gas	964.82	J/mol×K	1066.18	Joback Calculated Property
Cp,gas	981.06	J/mol×K	1111.39	Joback Calculated Property
Cp,gas	996.79	J/mol×K	1156.59	Joback Calculated Property
Cp,gas	1012.28	J/mol×K	1201.79	Joback Calculated Property
η	[0.0001498; 0.0008681]	Pa×s	[561.96; 930.58]
η	0.0008681	Pa×s	561.96	Joback Calculated Property
η	0.0005606	Pa×s	623.40	Joback Calculated Property
η	0.0003916	Pa×s	684.83	Joback Calculated Property
η	0.0002902	Pa×s	746.27	Joback Calculated Property
η	0.0002251	Pa×s	807.71	Joback Calculated Property
η	0.0001810	Pa×s	869.14	Joback Calculated Property
η	0.0001498	Pa×s	930.58	Joback Calculated Property
ΔsubH	[119.10; 125.90]	kJ/mol	[355.50; 405.70]
ΔsubH	119.10 ± 1.50	kJ/mol	355.50	NIST
ΔsubH	125.90 ± 2.50	kJ/mol	405.70	NIST

Similar Compounds

Find more compounds similar to Pentacyclo[18.2.2.2(9,12).0(4,15).0(6,17)]hexacosa-4,6(17),9,11,15,20,22,23,25-nonane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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