Chemical Properties of 7H-Dibenzo-8,9,10,11-tetrahydro- (CAS 78631-72-8)

InChI

InChI=1S/C21H18/c1-2-4-6-12-18-14-8-10-16-20(18)21-17-11-9-15-19(21)13-7-5-3-1/h8-11,14-17H,1-5H2

InChI Key

ZXDRPLPGXKZLMT-UHFFFAOYSA-N

Formula

C21H18

SMILES

C1#Cc2ccccc2-c2ccccc2C#CCCCCC1

Molecular Weight¹

270.37

CAS

78631-72-8

• 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	0.3170		Relay (1.0) Calculated Property
ΔfG°	497.98	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	621.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	101.36	kJ/mol	Relay (1.0) Calculated Property
IE	[7.70; 8.04]	eV
IE	7.70	eV	NIST
IE	8.04	eV	NIST
log10WS	-6.48		Relay (1.0) Calculated Property
logPoct/wat	5.021		Crippen Calculated Property
McVol	231.170	ml/mol	McGowan Calculated Property
Pc	2037.35	kPa	Relay (1.0-beta) Calculated Property
Tboil	687.10	K	Relay (1.0) Calculated Property
Tc	954.45	K	Relay (1.0) Calculated Property
Tfus	432.84	K	Relay (1.0) Calculated Property
Vc	0.780	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 7H-Dibenzo-8,9,10,11-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.