Chemical Properties of Dibenzo[a,c]cyclododecene, 5,6,11,12-tetradehydro-7,8,9,10-tetrahydro- (CAS 36398-39-7)

InChI

InChI=1S/C20H16/c1-2-4-6-12-18-14-8-10-16-20(18)19-15-9-7-13-17(19)11-5-3-1/h7-10,13-16H,1-4H2

InChI Key

TVOBLVHRGDRRBQ-UHFFFAOYSA-N

Formula

C20H16

SMILES

C1#Cc2ccccc2-c2ccccc2C#CCCCC1

Molecular Weight¹

256.34

CAS

36398-39-7

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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
ω	0.3141		Relay (1.0) Calculated Property
ΔfG°	488.35	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	647.96	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.32	kJ/mol	Relay (1.0) Calculated Property
IE	[7.90; 8.04]	eV
IE	7.90	eV	NIST
IE	8.04	eV	NIST
log10WS	-6.19		Relay (1.0) Calculated Property
logPoct/wat	4.631		Crippen Calculated Property
McVol	217.080	ml/mol	McGowan Calculated Property
Pc	2185.06	kPa	Relay (1.0-beta) Calculated Property
Tboil	672.75	K	Relay (1.0) Calculated Property
Tc	942.79	K	Relay (1.0) Calculated Property
Tfus	430.23	K	Relay (1.0) Calculated Property
Vc	0.741	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[a,c]cyclododecene, 5,6,11,12-tetradehydro-7,8,9,10-tetrahydro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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