Chemical Properties of 4,6-Dinitro-1,1,3,3,5-pentamethylindane (CAS 116-66-5)

InChI

InChI=1S/C14H18N2O4/c1-8-10(15(17)18)6-9-11(12(8)16(19)20)14(4,5)7-13(9,2)3/h6H,7H2,1-5H3

InChI Key

UHWURQRPEIFIAK-UHFFFAOYSA-N

Formula

C14H18N2O4

SMILES

Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C

Molecular Weight¹

278.30

CAS

116-66-5

Other Names

• 1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
• Indan, 1,1,3,3,5-pentamethyl-4,6-dinitro-
• Moskene
• 1,1,3,3,5-Pentamethyl-4,6-dinitroindan
• 1,1,3,3,5-Pentamethyl-4,6-dinitrolindan
• Indan, 4,6-dinitro-1,1,3,3,5-pentamethyl-
• 1,1,3,3,5-Pentamethyl-4,6-dinitroindane
• Musk moskene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	-63.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.83	kJ/mol	Joback Calculated Property
ΔvapH°	90.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	3.770		Crippen Calculated Property
McVol	208.340	ml/mol	McGowan Calculated Property
Inp	[1870.60; 1870.60]
Inp	1870.60		NIST
Inp	1870.60		NIST
Tfus	378.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[645.20; 787.59]	J/mol×K	[872.55; 1139.84]
Cp,gas	645.20	J/mol×K	872.55	Joback Calculated Property
Cp,gas	664.76	J/mol×K	917.10	Joback Calculated Property
Cp,gas	685.42	J/mol×K	961.65	Joback Calculated Property
Cp,gas	707.62	J/mol×K	1006.19	Joback Calculated Property
Cp,gas	731.77	J/mol×K	1050.74	Joback Calculated Property
Cp,gas	758.29	J/mol×K	1095.29	Joback Calculated Property
Cp,gas	787.59	J/mol×K	1139.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,6-Dinitro-1,1,3,3,5-pentamethylindane.

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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