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

1,4,5,8-Naphthalenetetracarboxylic dianhydride

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
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Physical Properties

Property Value Unit Source
ΔcH°solid -5154.00 ± 10.00 kJ/mol NIST
ΔfH°gas -761.41 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid -985.00 ± 10.00 kJ/mol NIST
ΔfusH° 31.81 kJ/mol Joback Calculated Property
IE 10.34 eV Relay (1.0) Calculated Property
log10WS -4.14 Relay (1.0) Calculated Property
logPoct/wat 1.461 Crippen Calculated Property
McVol 161.200 ml/mol McGowan Calculated Property
Pc 3302.95 kPa Joback Calculated Property
Tboil 700.52 K Relay (1.0) Calculated Property
Tc 1049.26 K Relay (1.0) Calculated Property
Tfus 546.90 K Relay (1.0) Calculated Property
Vc 0.644 m3/kmol Relay (1.0) Calculated Property

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [227.99; 473.65] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.38100e+01
Coefficient B9.60200e-01
Coefficient C-6.97160e-04
Coefficient D1.96800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 227.99 J/mol×K 273.00 Calculated Property
Cp,gas 274.97 J/mol×K 353.78 Calculated Property
Cp,gas 315.57 J/mol×K 434.56 Calculated Property
Cp,gas 350.42 J/mol×K 515.33 Calculated Property
Cp,gas 380.15 J/mol×K 596.11 Calculated Property
Cp,gas 405.37 J/mol×K 676.89 Calculated Property
Cp,gas 426.71 J/mol×K 757.67 Calculated Property
Cp,gas 444.79 J/mol×K 838.44 Calculated Property
Cp,gas 460.23 J/mol×K 919.22 Calculated Property
Cp,gas 473.65 J/mol×K 1000.00 Calculated Property

Similar Compounds

3,4,9,10-Perylenetetracarboxylic dianhydride. Naphthalic anhydride. Naphthalene-1,4,5,8-tetracarboxylic acid, tetramethyl ester. 1,4,5,8-NAPHTHALENETETRACARBOXYLIC ACID. 4-CHLORO-1,8-NAPHTHALENEDICARBOXYLIC ANHYDRIDE. Naphtho[1,2-c]furan-1,3-dione. 1H,3H-Naphtho[1,8-cd]pyran-1-one. 3-Nitro-1,8-Naphthalic anhydride. 1-Naphthalenecarboxylic acid, methyl ester. naphthalenecarboxylic acid, methyl ester. 1-Naphthalenecarboxylic acid, ethyl ester. 1,2,4-BENZENETRICARBOXYLIC 1,2-ANHYDRIDE. 1-Naphthoic acid, 2,2,2-trichloroethyl ester. 9,10-Phenanthrenedicarboxylic acid, anhydride. DIMETHYL 5,6-ACENAPHTHENEDICARBOXYLATE.

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

Sources

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