Chemical Properties of [18]-Annulene (CAS 2040-73-5)

InChI

InChI=1S/C18H18/c1-2-4-6-8-10-12-14-16-18-17-15-13-11-9-7-5-3-1/h1-18H/b2-1-,3-1+,4-2+,5-3+,6-4+,7-5-,8-6-,9-7+,10-8+,11-9+,12-10+,13-11-,14-12-,15-13+,16-14+,17-15+,18-16+,18-17-

InChI Key

STQWAGYDANTDNA-DWSNDWDZSA-N

Formula

C18H18

SMILES

c1ccccccccccccccccc1

Molecular Weight¹

234.34

CAS

2040-73-5

Other Names

• (1,3,5,7,9,11,13,15,17)-Cyclooctadecanonaene

• 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_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
ΔcH°solid	-9819.00 ± 17.00	kJ/mol	NIST
ΔfG°	257.28	kJ/mol	Joback Calculated Property
ΔfH°gas	280.00 ± 25.00	kJ/mol	NIST
ΔfH°solid	163.00 ± 17.00	kJ/mol	NIST
ΔfusH°	18.94	kJ/mol	Joback Calculated Property
ΔsubH°	[117.00; 120.00]	kJ/mol
ΔsubH°	120.00 ± 8.00	kJ/mol	NIST
ΔsubH°	117.00	kJ/mol	NIST
ΔvapH°	61.09	kJ/mol	Joback Calculated Property
IE	[6.60; 7.23]	eV
IE	6.60	eV	NIST
IE	7.23	eV	NIST
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	5.060		Crippen Calculated Property
McVol	214.920	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Tboil	679.14	K	Joback Calculated Property
Tc	963.80	K	Joback Calculated Property
Tfus	268.84	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.78; 659.32]	J/mol×K	[679.14; 963.80]
Cp,gas	548.78	J/mol×K	679.14	Joback Calculated Property
Cp,gas	574.07	J/mol×K	726.58	Joback Calculated Property
Cp,gas	596.69	J/mol×K	774.03	Joback Calculated Property
Cp,gas	616.57	J/mol×K	821.47	Joback Calculated Property
Cp,gas	633.67	J/mol×K	868.91	Joback Calculated Property
Cp,gas	647.94	J/mol×K	916.36	Joback Calculated Property
Cp,gas	659.32	J/mol×K	963.80	Joback Calculated Property
η	[0.0000042; 0.0399459]	Pa×s	[268.84; 679.14]
η	0.0399459	Pa×s	268.84	Joback Calculated Property
η	0.0018462	Pa×s	337.22	Joback Calculated Property
η	0.0002406	Pa×s	405.61	Joback Calculated Property
η	0.0000565	Pa×s	473.99	Joback Calculated Property
η	0.0000191	Pa×s	542.37	Joback Calculated Property
η	0.0000082	Pa×s	610.76	Joback Calculated Property
η	0.0000042	Pa×s	679.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to [18]-Annulene.

Sources

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

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