Chemical Properties of Ethyl-a,a-dibenzylacetoacetate (CAS 42597-26-2)

Ethyl-a,a-dibenzylacetoacetate

InChI
InChI=1S/C20H22O3/c1-3-23-19(22)20(16(2)21,14-17-10-6-4-7-11-17)15-18-12-8-5-9-13-18/h4-13H,3,14-15H2,1-2H3
InChI Key
GAEGCFQREIOAKQ-UHFFFAOYSA-N
Formula
C20H22O3
SMILES
CCOC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(C)=O
Molecular Weight1
310.39
CAS
42597-26-2
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Physical Properties

Property Value Unit Source
ω 0.6354 Relay (1.0) Calculated Property
ΔfH°gas -372.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 34.19 kJ/mol Joback Calculated Property
ΔvapH° 96.13 kJ/mol Relay (1.0) Calculated Property
IE 8.39 eV Relay (1.0) Calculated Property
log10WS -4.01 Relay (1.0) Calculated Property
logPoct/wat 3.610 Crippen Calculated Property
McVol 254.150 ml/mol McGowan Calculated Property
Pc 1752.14 kPa Joback Calculated Property
Tboil 636.58 K Relay (1.0) Calculated Property
Tc 887.54 K Relay (1.0) Calculated Property
Tfus 349.60 K Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [751.45; 825.79] J/mol×K [819.42; 1051.76] Show Hide
Cp,gas 751.45 J/mol×K 819.42 Joback Calculated Property
Cp,gas 766.92 J/mol×K 858.14 Joback Calculated Property
Cp,gas 781.03 J/mol×K 896.87 Joback Calculated Property
Cp,gas 793.87 J/mol×K 935.59 Joback Calculated Property
Cp,gas 805.54 J/mol×K 974.31 Joback Calculated Property
Cp,gas 816.15 J/mol×K 1013.04 Joback Calculated Property
Cp,gas 825.79 J/mol×K 1051.76 Joback Calculated Property
η [0.0000514; 0.0009836] Pa×s [462.68; 819.42] Show Hide
η 0.0009836 Pa×s 462.68 Joback Calculated Property
η 0.0004545 Pa×s 522.14 Joback Calculated Property
η 0.0002459 Pa×s 581.59 Joback Calculated Property
η 0.0001491 Pa×s 641.05 Joback Calculated Property
η 0.0000984 Pa×s 700.51 Joback Calculated Property
η 0.0000693 Pa×s 759.96 Joback Calculated Property
η 0.0000514 Pa×s 819.42 Joback Calculated Property

Similar Compounds

Ethyl 2-benzylacetoacetate. Nafronyl. (3R)-trans-Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone diTMS. 1,3,5(10)-Oestratriene-3,17.beta.-diol, 3-TBDMS-17-HFB. 2,6-Methano-1,4(2h)-benzoxazocin, 4(3h)-cyclopropyl-6(5h)-phenyl-. Anthracene, 1,2-dihydro-trans-1,2-diol, DTBS. «alpha»-Estradiol, bis(tert-butyldimethylsilyl) ether. 17«beta»-Estradiol, 3,17-di(dimethyl-tert-butylsilyl)ether. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Doronenine. 2-Hydroxy-2-phenylethylamine, ferrocenylboronate. Aflatoxin B1. 1,3,5(10)-Oestratriene-2-methoxy-3,16«alpha»,17«beta»-triol, 3-TBDMS-16,17-HFB. 1,3,5(10)-Oestratriene-2-methoxy-3,17«beta»-diol, 3-TBDMS-17-HFB. tryptophan, trifluoroacetyl-isopropyl ester.

Find more compounds similar to Ethyl-a,a-dibenzylacetoacetate.

Sources

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