Chemical Properties of Melitracene (CAS 5118-29-6)

InChI

InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3

InChI Key

GWWLWDURRGNSRS-UHFFFAOYSA-N

Formula

C21H25N

SMILES

CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21

Molecular Weight¹

291.43

CAS

5118-29-6

Other Names

• Melitracen
• 1-Propanamine, 3-(10,10-dimethyl-9(10H)-anthracenylidene)-N,N-dimethyl-

• 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).
• 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
ΔfG°	555.10	kJ/mol	Joback Calculated Property
ΔfH°gas	211.11	kJ/mol	Joback Calculated Property
ΔfusH°	34.73	kJ/mol	Joback Calculated Property
ΔvapH°	69.64	kJ/mol	Joback Calculated Property
log10WS	-5.11		Crippen Calculated Property
logPoct/wat	4.709		Crippen Calculated Property
McVol	254.050	ml/mol	McGowan Calculated Property
Pc	1700.50	kPa	Joback Calculated Property
Inp	[2270.00; 2326.00]
Inp	2285.00		NIST
Inp	2295.00		NIST
Inp	2326.00		NIST
Inp	2285.00		NIST
Inp	2270.00		NIST
Tboil	764.99	K	Joback Calculated Property
Tc	993.97	K	Joback Calculated Property
Tfus	492.50	K	Joback Calculated Property
Vc	0.960	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.80; 846.04]	J/mol×K	[764.99; 993.97]
Cp,gas	736.80	J/mol×K	764.99	Joback Calculated Property
Cp,gas	755.88	J/mol×K	803.15	Joback Calculated Property
Cp,gas	774.30	J/mol×K	841.32	Joback Calculated Property
Cp,gas	792.28	J/mol×K	879.48	Joback Calculated Property
Cp,gas	810.08	J/mol×K	917.64	Joback Calculated Property
Cp,gas	827.92	J/mol×K	955.81	Joback Calculated Property
Cp,gas	846.04	J/mol×K	993.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Melitracene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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