Chemical Properties of Delta 1(2)-alpha- naphthalenemalonic acid, 3-hydroxy-4-oxo-, diethyl ester (CAS 7475-39-0)

Delta 1(2)-alpha- naphthalenemalonic acid, 3-hydroxy-4-oxo-, diethyl ester

InChI
InChI=1S/C17H16O6/c1-3-22-16(20)14(17(21)23-4-2)12-9-13(18)15(19)11-8-6-5-7-10(11)12/h5-9,18H,3-4H2,1-2H3
InChI Key
NOYJQYUJKVGDGF-UHFFFAOYSA-N
Formula
C17H16O6
SMILES
CCOC(=O)C(C(=O)OCC)=C1C=C(O)C(=O)c2ccccc21
Molecular Weight1
316.31
CAS
7475-39-0
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Physical Properties

Property Value Unit Source
ω 0.9103 Relay (1.0) Calculated Property
ΔfG° -418.61 kJ/mol Joback Calculated Property
ΔfH°gas -852.95 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.42 kJ/mol Joback Calculated Property
ΔvapH° 100.29 kJ/mol Relay (1.0) Calculated Property
IE 8.47 eV Relay (1.0) Calculated Property
log10WS -3.82 Relay (1.0) Calculated Property
logPoct/wat 2.205 Crippen Calculated Property
McVol 229.490 ml/mol McGowan Calculated Property
Pc 2329.27 kPa Joback Calculated Property
Tboil 660.31 K Relay (1.0) Calculated Property
Tc 931.08 K Relay (1.0) Calculated Property
Tfus 380.74 K Relay (1.0) Calculated Property
Vc 0.815 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [703.60; 744.42] J/mol×K [958.94; 1186.99] Show Hide
Cp,gas 703.60 J/mol×K 958.94 Joback Calculated Property
Cp,gas 713.19 J/mol×K 996.95 Joback Calculated Property
Cp,gas 721.65 J/mol×K 1034.96 Joback Calculated Property
Cp,gas 728.98 J/mol×K 1072.96 Joback Calculated Property
Cp,gas 735.22 J/mol×K 1110.97 Joback Calculated Property
Cp,gas 740.36 J/mol×K 1148.98 Joback Calculated Property
Cp,gas 744.42 J/mol×K 1186.99 Joback Calculated Property

Similar Compounds

Metergoline. ethyl eburnamenine-14-carboxylate. norbormide. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl.

Find more compounds similar to Delta 1(2)-alpha- naphthalenemalonic acid, 3-hydroxy-4-oxo-, diethyl ester.

Sources

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