Chemical Properties of Anti-7,14-dihydro-7,14-dimethylene-1,6:8,13-bismethano[14]annulene (CAS 109281-33-6)

InChI

InChI=1S/C18H16/c1-13-15-7-3-5-9-17(11-15)14(2)18-10-6-4-8-16(13)12-18/h3-10H,1-2,11-12H2

InChI Key

RGWOSRBWFUXUPC-UHFFFAOYSA-N

Formula

C18H16

SMILES

C=C1C2=CC=CC=C(C2)C(=C)C2=CC=CC=C1C2

Molecular Weight¹

232.32

CAS

109281-33-6

• 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°	468.76	kJ/mol	Joback Calculated Property
ΔfH°gas	290.73	kJ/mol	Joback Calculated Property
ΔfusH°	22.33	kJ/mol	Joback Calculated Property
ΔvapH°	62.25	kJ/mol	Joback Calculated Property
IE	[7.30; 7.45]	eV
IE	7.30	eV	NIST
IE	7.45	eV	NIST
log10WS	-5.87		Crippen Calculated Property
logPoct/wat	4.738		Crippen Calculated Property
McVol	197.500	ml/mol	McGowan Calculated Property
Pc	2293.71	kPa	Joback Calculated Property
Tboil	688.56	K	Joback Calculated Property
Tc	938.64	K	Joback Calculated Property
Tfus	416.52	K	Joback Calculated Property
Vc	0.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.27; 600.08]	J/mol×K	[688.56; 938.64]
Cp,gas	513.27	J/mol×K	688.56	Joback Calculated Property
Cp,gas	530.81	J/mol×K	730.24	Joback Calculated Property
Cp,gas	546.98	J/mol×K	771.92	Joback Calculated Property
Cp,gas	561.89	J/mol×K	813.60	Joback Calculated Property
Cp,gas	575.63	J/mol×K	855.28	Joback Calculated Property
Cp,gas	588.33	J/mol×K	896.96	Joback Calculated Property
Cp,gas	600.08	J/mol×K	938.64	Joback Calculated Property
η	[0.0002656; 0.0012230]	Pa×s	[416.52; 688.56]
η	0.0012230	Pa×s	416.52	Joback Calculated Property
η	0.0008368	Pa×s	461.86	Joback Calculated Property
η	0.0006128	Pa×s	507.20	Joback Calculated Property
η	0.0004722	Pa×s	552.54	Joback Calculated Property
η	0.0003786	Pa×s	597.88	Joback Calculated Property
η	0.0003132	Pa×s	643.22	Joback Calculated Property
η	0.0002656	Pa×s	688.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anti-7,14-dihydro-7,14-dimethylene-1,6:8,13-bismethano[14]annulene.

Sources

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

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