Chemical Properties of 1,4-Naphthalenedione, 2-(acetyloxy)- (CAS 1785-65-5)

1,4-Naphthalenedione, 2-(acetyloxy)-

InChI
InChI=1S/C12H8O4/c1-7(13)16-11-6-10(14)8-4-2-3-5-9(8)12(11)15/h2-6H,1H3
InChI Key
QHISPATYFAPAKC-UHFFFAOYSA-N
Formula
C12H8O4
SMILES
CC(=O)OC1=CC(=O)c2ccccc2C1=O
Molecular Weight1
216.19
CAS
1785-65-5
Other Names
  • 1,4-Naphthoquinone, 2-hydroxy-, acetate
  • 2-Acetoxy-1,4-naphthoquinone
  • 2-Hydroxy-1,4-naphthoquinone acetate
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Physical Properties

Property Value Unit Source
ω 0.6177 Relay (1.0) Calculated Property
ΔfG° -249.47 kJ/mol Joback Calculated Property
ΔfH°gas -475.46 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 18.09 kJ/mol Joback Calculated Property
ΔvapH° 87.27 kJ/mol Relay (1.0) Calculated Property
IE 9.27 eV Relay (1.0) Calculated Property
log10WS -3.00 Relay (1.0) Calculated Property
logPoct/wat 1.513 Crippen Calculated Property
McVol 151.600 ml/mol McGowan Calculated Property
Pc 3345.11 kPa Joback Calculated Property
Inp 1833.00 NIST
Tboil 599.65 K Relay (1.0) Calculated Property
Tc 852.45 K Relay (1.0) Calculated Property
Tfus 402.87 K Relay (1.0) Calculated Property
Vc 0.549 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [403.07; 462.21] J/mol×K [737.37; 993.32] Show Hide
Cp,gas 403.07 J/mol×K 737.37 Joback Calculated Property
Cp,gas 415.91 J/mol×K 780.03 Joback Calculated Property
Cp,gas 427.61 J/mol×K 822.69 Joback Calculated Property
Cp,gas 438.12 J/mol×K 865.34 Joback Calculated Property
Cp,gas 447.42 J/mol×K 908.00 Joback Calculated Property
Cp,gas 455.46 J/mol×K 950.66 Joback Calculated Property
Cp,gas 462.21 J/mol×K 993.32 Joback Calculated Property

Similar Compounds

1,4-Naphthalenedione, 2-methoxy-. 1,4-Naphthalenedione, 2-hydroxy-. 2-(tert-Butyldimethylsilyl)oxynaphthalene-1,4-dione. Rhodoporphyrin-XV homologue, bis(trimethylsiloxy)silicon(IV) derivative. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Rotenone. (+)-Roemerine. Deuteroporphyrin-IX dimethyl ester, bis(trimethylsiloxy)silicon(IV) derivative. Spiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 2',3',8',8'a-tetrahydro-5',6'-dimethoxy-1'-methyl-, (R)-. Actinodaphnine. Delta 1(2)-alpha- naphthalenemalonic acid, 3-hydroxy-4-oxo-, diethyl ester. Cytidine, methyl-TMS derivative. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Benazepril desethyl 3Me (Benazeprilate 3Me).

Find more compounds similar to 1,4-Naphthalenedione, 2-(acetyloxy)-.

Sources

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