Chemical Properties of Methyl 4-(3,4-methylenedioxyphenyl)butanoate

Methyl 4-(3,4-methylenedioxyphenyl)butanoate

InChI
InChI=1S/C12H14O4/c1-14-12(13)4-2-3-9-5-6-10-11(7-9)16-8-15-10/h5-7H,2-4,8H2,1H3
InChI Key
VHUABZULWQQCDI-UHFFFAOYSA-N
Formula
C12H14O4
SMILES
COC(=O)CCCc1ccc2c(c1)OCO2
Molecular Weight1
222.24
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Physical Properties

Property Value Unit Source
ΔfusH° 35.91 kJ/mol Joback Calculated Property
IE 8.04 eV Relay (1.0) Calculated Property
log10WS -3.19 Relay (1.0) Calculated Property
logPoct/wat 1.911 Crippen Calculated Property
McVol 164.500 ml/mol McGowan Calculated Property
Inp 1653.00 NIST
Tboil 579.33 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [435.80; 504.33] J/mol×K [652.20; 870.40] Show Hide
Cp,gas 435.80 J/mol×K 652.20 Joback Calculated Property
Cp,gas 449.24 J/mol×K 688.57 Joback Calculated Property
Cp,gas 461.81 J/mol×K 724.93 Joback Calculated Property
Cp,gas 473.56 J/mol×K 761.30 Joback Calculated Property
Cp,gas 484.53 J/mol×K 797.67 Joback Calculated Property
Cp,gas 494.77 J/mol×K 834.03 Joback Calculated Property
Cp,gas 504.33 J/mol×K 870.40 Joback Calculated Property
η [0.0003448; 0.0016897] Pa×s [423.94; 652.20] Show Hide
η 0.0016897 Pa×s 423.94 Joback Calculated Property
η 0.0011625 Pa×s 461.98 Joback Calculated Property
η 0.0008467 Pa×s 500.03 Joback Calculated Property
η 0.0006449 Pa×s 538.07 Joback Calculated Property
η 0.0005092 Pa×s 576.11 Joback Calculated Property
η 0.0004140 Pa×s 614.16 Joback Calculated Property
η 0.0003448 Pa×s 652.20 Joback Calculated Property

Similar Compounds

2-Octanone, 8-(3,4-methylenedioxyphenyl). 2-Hexanone, 6-(3,4-methylenedioxyphenyl). Benzenebutanoic acid, 4-methoxy-, methyl ester. 5,5'-((2R,3S)-2,3-Dimethylbutane-1,4-diyl)bis(benzo[d][1,3]dioxole). 4-((2S,3R)-4-(Benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutyl)-2-methoxyphenol. 4-(3,4-Methylenedioxyphenyl)-2-butanone. 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol. (.+/-.)-BDB. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. 1,3-Benzodioxole, 5-propyl-. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (1R,2S,3R)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)-2,3-dimethylbutan-1-ol. Adipic acid, 3,4-bis(3',4'-dimethoxyphenyl)-, dimethyl ester.

Find more compounds similar to Methyl 4-(3,4-methylenedioxyphenyl)butanoate.

Sources

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