Chemical Properties of Melitracene M(Nor), acetylated

InChI

InChI=1S/C22H25NO/c1-16(24)23(4)15-9-12-17-18-10-5-7-13-20(18)22(2,3)21-14-8-6-11-19(17)21/h5-8,10-14H,9,15H2,1-4H3

InChI Key

UBYPLULGKXMKSC-UHFFFAOYSA-N

Formula

C22H25NO

SMILES

CC(=O)N(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21

Molecular Weight¹

319.44

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	0.6693		Relay (... Calculated Property
ΔfG°	434.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-34.64	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.92	kJ/mol	Joback Calculated Property
ΔvapH°	118.28	kJ/mol	Relay (... Calculated Property
IE	8.02	eV	Relay (... Calculated Property
log10WS	-4.21		Relay (... Calculated Property
logPoct/wat	4.626		Crippen Calculated Property
McVol	269.710	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	674.62	K	Relay (... Calculated Property
Tc	963.93	K	Relay (... Calculated Property
Tfus	411.99	K	Relay (... Calculated Property
Vc	0.974	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.75; 926.07]	J/mol×K	[841.74; 1072.70]
Cp,gas	813.75	J/mol×K	841.74	Joback Calculated Property
Cp,gas	832.35	J/mol×K	880.23	Joback Calculated Property
Cp,gas	850.68	J/mol×K	918.73	Joback Calculated Property
Cp,gas	868.97	J/mol×K	957.22	Joback Calculated Property
Cp,gas	887.47	J/mol×K	995.71	Joback Calculated Property
Cp,gas	906.42	J/mol×K	1034.21	Joback Calculated Property
Cp,gas	926.07	J/mol×K	1072.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Melitracene M(Nor), acetylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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