Chemical Properties of Ethyl 2-benzylacetoacetate (CAS 620-79-1)

Ethyl 2-benzylacetoacetate

InChI
InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChI Key
XDWQYMXQMNUWID-UHFFFAOYSA-N
Formula
C13H16O3
SMILES
CCOC(=O)C(Cc1ccccc1)C(C)=O
Molecular Weight1
220.26
CAS
620-79-1
Other Names
  • Ethyl «alpha»-benzylacetoacetate
  • Ethyl benzylacetoacetate
  • Benzenepropanoic acid, «alpha»-acetyl-, ethyl ester
  • Ethyl «alpha»-acetylhydrocinnamate
  • Ethyl 2-acetyl-3-phenylpropionate
  • Hydrocinnamic acid, «alpha»-acetyl-, ethyl ester
  • Ethyl 2-benzyl-3-oxobutanoate
  • Ethyl-a-benzylacetoacetate
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Physical Properties

Property Value Unit Source
ω 0.5398 Relay (1.0) Calculated Property
ΔfH°gas -501.37 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.91 kJ/mol Joback Calculated Property
ΔvapH° 74.34 kJ/mol Relay (1.0) Calculated Property
IE 8.66 eV Relay (1.0) Calculated Property
log10WS -1.96 Relay (1.0) Calculated Property
logPoct/wat 1.997 Crippen Calculated Property
McVol 179.280 ml/mol McGowan Calculated Property
Pc 2358.78 kPa Joback Calculated Property
Tboil 549.20 K NIST
Tc 767.53 K Relay (1.0) Calculated Property
Tfus 282.52 K Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [458.60; 534.19] J/mol×K [635.37; 847.29] Show Hide
Cp,gas 458.60 J/mol×K 635.37 Joback Calculated Property
Cp,gas 473.60 J/mol×K 670.69 Joback Calculated Property
Cp,gas 487.60 J/mol×K 706.01 Joback Calculated Property
Cp,gas 500.63 J/mol×K 741.33 Joback Calculated Property
Cp,gas 512.72 J/mol×K 776.65 Joback Calculated Property
Cp,gas 523.90 J/mol×K 811.97 Joback Calculated Property
Cp,gas 534.19 J/mol×K 847.29 Joback Calculated Property
η [0.0001445; 0.0031010] Pa×s [339.95; 635.37] Show Hide
η 0.0031010 Pa×s 339.95 Joback Calculated Property
η 0.0013465 Pa×s 389.19 Joback Calculated Property
η 0.0007051 Pa×s 438.42 Joback Calculated Property
η 0.0004208 Pa×s 487.66 Joback Calculated Property
η 0.0002761 Pa×s 536.90 Joback Calculated Property
η 0.0001944 Pa×s 586.13 Joback Calculated Property
η 0.0001445 Pa×s 635.37 Joback Calculated Property

Similar Compounds

Propanedioic acid, (phenylmethyl)-, diethyl ester. Ethyl-a,a-dibenzylacetoacetate. 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. Isonipecotic acid, N-(4-butylbenzoyl)-, heptyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, hexyl ester. Cyclopropane-1-carboxylic acid, 2-methoxymethyl-3-phenyl, ethyl ester. Nandrolone phenpropionate. Isonipecotic acid, N-(4-butylbenzoyl)-, octyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, nonyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, decyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, pentyl ester. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. (-)-Jasmonic acid, - (S)-Phe conjugate, methyl ester. Isonipecotic acid, N-(4-butylbenzoyl)-, isohexyl ester. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one.

Find more compounds similar to Ethyl 2-benzylacetoacetate.

Sources

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