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_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.73	kJ/mol	Joback Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	4.709		Crippen Calculated Property
McVol	254.050	ml/mol	McGowan Calculated Property
Inp	[2270.00; 2326.00]
Inp	2295.00		NIST
Inp	2326.00		NIST
Inp	2285.00		NIST
Inp	2270.00		NIST
Inp	2295.00		NIST
Inp	2285.00		NIST
Tfus	394.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• 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
• Joback 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.
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