Chemical Properties of Plicatin B

Plicatin B

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InChI
InChI=1S/C15H18O3/c1-11(2)4-7-13-10-12(5-8-14(13)16)6-9-15(17)18-3/h4-6,8-10,16H,7H2,1-3H3/b9-6+
InChI Key
LZEOAWXRNGQEHO-RMKNXTFCSA-N
Formula
C15H18O3
SMILES
COC(=O)C=Cc1ccc(O)c(CC=C(C)C)c1
Molecular Weight1
246.30
Sources

Physical Properties

Property Value Unit Source
Δf -58.45 kJ/mol Joback Calculated Property
Δfgas -325.33 kJ/mol Joback Calculated Property
Δfus 35.92 kJ/mol Joback Calculated Property
Δvap 74.09 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 2407.64 kPa Joback Calculated Property
Tboil 739.37 K Joback Calculated Property
Tc 964.78 K Joback Calculated Property
Tfus 457.51 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 555.34 J/mol×K 739.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
=CH- 3
-CH3 3
>C=O (nonring) 1
-OH (phenol) 1

Similar Compounds

2-Allyl-4-methylphenol. (E)-Werneria chromene. 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester. M-xylene-alpha,alpha'-diol, 2-hydroxy-5-(3-methyl-2-buten-1-yl)-. 2-Propenoic acid, 3-(2-hydroxyphenyl)-, methyl ester. trans-2-Hydroxycinnamic acid, methyl ester. Acetophenone, 3'-allyl-4'-hydroxy-. 6-(1'-Hydroxyethyl)-2,2-dimethylchromene. Desmethoxyencecalin. 2-ALLYL-6-METHYLPHENOL. 4-Methoxycinnamyl cinnamate. 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester, (E)-. 2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl ester. Methyl p-methoxycinnamate, cis. eupatoriochromene.

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