Chemical Properties of (E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one (CAS 128700-97-0)

(E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one

InChI
InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+
InChI Key
FWDXZNKYDTXGOT-GQCTYLIASA-N
Formula
C21H24O5
SMILES
COc1cc(CCC=CC(=O)CCc2ccc(O)c(OC)c2)ccc1O
Molecular Weight1
356.41
CAS
128700-97-0
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Physical Properties

Property Value Unit Source
ΔfusH° 53.19 kJ/mol Joback Calculated Property
ΔvapH° 147.17 kJ/mol Relay (1.0) Calculated Property
log10WS -4.00 Relay (1.0) Calculated Property
logPoct/wat 3.806 Crippen Calculated Property
McVol 279.980 ml/mol McGowan Calculated Property
Inp [3158.80; 3158.80]   Show Hide
Inp 3158.80 NIST
Inp 3158.80 NIST
Tboil 664.50 K Relay (1.0) Calculated Property
Tfus 380.24 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [902.77; 998.67] J/mol×K [1007.31; 1247.99] Show Hide
Cp,gas 902.77 J/mol×K 1007.31 Joback Calculated Property
Cp,gas 918.49 J/mol×K 1047.42 Joback Calculated Property
Cp,gas 934.08 J/mol×K 1087.54 Joback Calculated Property
Cp,gas 949.73 J/mol×K 1127.65 Joback Calculated Property
Cp,gas 965.60 J/mol×K 1167.77 Joback Calculated Property
Cp,gas 981.86 J/mol×K 1207.88 Joback Calculated Property
Cp,gas 998.67 J/mol×K 1247.99 Joback Calculated Property
η [4.8301378e-08; 0.0000011] Pa×s [717.06; 1007.31] Show Hide
η 0.0000011 Pa×s 717.06 Joback Calculated Property
η 0.0000005 Pa×s 765.44 Joback Calculated Property
η 0.0000003 Pa×s 813.81 Joback Calculated Property
η 0.0000002 Pa×s 862.19 Joback Calculated Property
η 0.0000001 Pa×s 910.56 Joback Calculated Property
η 7.1186132e-08 Pa×s 958.94 Joback Calculated Property
η 4.8301378e-08 Pa×s 1007.31 Joback Calculated Property

Similar Compounds

(Z)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)dec-3-en-5-one. 1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)tetradec-3-en-5-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)dodec-3-en-5-one. (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-4-en-3-one. 1-(4-Hydroxy-3-methoxyphenyl)dodec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)dec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)tetradec-4-en-3-one. (E)-1-(3,4-Dimethoxyphenyl)dodec-4-en-3-one. 6-(benzo[d][1,3]dioxol-5-yl)hex-3-en-2-one. Nicolaioidesin C. Nicolaioidesin B. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid.

Find more compounds similar to (E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one.

Sources

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