Chemical Properties of Solanthrene

InChI

InChI=1S/C27H43N/c1-17-8-11-23-18(2)25-24(28(23)16-17)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h9,17-18,20-25H,5-8,10-16H2,1-4H3/t17-,18+,20?,21?,22?,23?,24?,25?,26?,27?/m1/s1

InChI Key

HKIXEELOHWFWNE-QYZUSCGHSA-N

Formula

C27H43N

SMILES

CC1CCC2C(C)C3C(CC4C5CC=C6CCCCC6(C)C5CCC43C)N2C1

Molecular Weight¹

381.64

• 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).
• 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	0.4704		Relay (1.0) Calculated Property
ΔfG°	386.60	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-190.81	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	117.97	kJ/mol	Relay (1.0) Calculated Property
IE	7.00	eV	Relay (1.0) Calculated Property
log10WS	-6.77		Relay (1.0) Calculated Property
logPoct/wat	6.684		Crippen Calculated Property
McVol	331.810	ml/mol	McGowan Calculated Property
Pc	504.79	kPa	Relay (1.0-beta) Calculated Property
Inp	[2942.00; 2942.00]
Inp	2942.00		NIST
Inp	2942.00		NIST
Tboil	682.82	K	Relay (1.0) Calculated Property
Tc	981.92	K	Relay (1.0) Calculated Property
Tfus	465.73	K	Relay (1.0) Calculated Property
Vc	1.237	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Solanthrene.

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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