Chemical Properties of 1,4,5,8-Naphthalenetetracarboxylic dianhydride (CAS 81-30-1)

InChI

InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H

InChI Key

YTVNOVQHSGMMOV-UHFFFAOYSA-N

Formula

C14H4O6

SMILES

O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O

Molecular Weight¹

268.18

CAS

81-30-1

Other Names

• Naphthalene-1,4,5,8-tetracarboxylic dianhydride
• [2]Benzopyrano[6,5,4-def][2]benzopyran-1,3,6,8-tetrone
• Naphthalenetetracarboxylic dianhydride
• 1,4,5,8-Naphthalenetetracarboxylic acid anhydride
• 1,4,5,8-Naphthalenetetracarboxylic acid dianhydride
• 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-dianhydride
• 1,8:4,5-Naphthalenetetracarboxylic dianhydride
• 2,7-Dioxapyrene-1,3,6,8-tetrone
• 1,4,5,8-Naphthalenetetracarboxylic acid, 1,8:4,5-dianhydride
• NSC 84241
• NTCDA
• naphthalene-1,8:4,5-tetracarboxylic dianhydride

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate 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	[445.79; 487.27]	J/mol×K	[843.32; 1091.92]
Cp,gas	445.79	J/mol×K	843.32	Joback Calculated Property
Cp,gas	453.92	J/mol×K	884.75	Joback Calculated Property
Cp,gas	461.45	J/mol×K	926.19	Joback Calculated Property
Cp,gas	468.47	J/mol×K	967.62	Joback Calculated Property
Cp,gas	475.06	J/mol×K	1009.05	Joback Calculated Property
Cp,gas	481.29	J/mol×K	1050.49	Joback Calculated Property
Cp,gas	487.27	J/mol×K	1091.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4,5,8-Naphthalenetetracarboxylic dianhydride.

Sources

• Cheméo Relay (1.0)
• 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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