Chemical Properties of Anthracene, 1,2,3,4,5,6,7,8-octahydro-cis-1,2-diol, DTBS

InChI

InChI=1S/C22H34O2Si/c1-21(2,3)25(22(4,5)6)23-19-12-11-17-13-15-9-7-8-10-16(15)14-18(17)20(19)24-25/h13-14,19-20H,7-12H2,1-6H3/t19-,20+/m1/s1

InChI Key

HRAYGHPOCVKHDZ-UXHICEINSA-N

Formula

C22H34O2Si

SMILES

CC(C)(C)[Si]1(C(C)(C)C)OC2CCc3cc4c(cc3C2O1)CCCC4

Molecular Weight¹

358.59

• 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.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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	0.5994		Relay (... Calculated Property
ΔfG°	64.19	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-474.70	kJ/mol	Relay (... Calculated Property
ΔvapH°	90.88	kJ/mol	Relay (... Calculated Property
IE	7.87	eV	Relay (... Calculated Property
log10WS	-5.93		Relay (... Calculated Property
logPoct/wat	6.011		Crippen Calculated Property
Pc	1067.41	kPa	Relay (... Calculated Property ⚠️
Inp	[2380.00; 2380.00]
Inp	2380.00		NIST
Inp	2380.00		NIST
Tboil	657.87	K	Relay (... Calculated Property
Tc	919.47	K	Relay (... Calculated Property
Tfus	431.52	K	Relay (... Calculated Property
Vc	1.150	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 1,2,3,4,5,6,7,8-octahydro-cis-1,2-diol, DTBS.

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
• NIST Webbook

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