Chemical Properties of Methyl ar-curcumen-15-oate

Methyl ar-curcumen-15-oate

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InChI
InChI=1S/C16H22O2/c1-12(2)6-5-7-13(3)14-8-10-15(11-9-14)16(17)18-4/h6,8-11,13H,5,7H2,1-4H3
InChI Key
LVULNLVBTSBSBO-UHFFFAOYSA-N
Formula
C16H22O2
SMILES
COC(=O)c1ccc(C(C)CCC=C(C)C)cc1
Molecular Weight1
246.34
Sources

Physical Properties

Property Value Unit Source
Δf 21.93 kJ/mol Joback Calculated Property
Δfgas -291.16 kJ/mol Joback Calculated Property
Δfus 29.00 kJ/mol Joback Calculated Property
Δvap 62.95 kJ/mol Joback Calculated Property
logPoct/wat 4.32 Crippen Calculated Property
Pc 1846.75 kPa Joback Calculated Property
Tboil 677.03 K Joback Calculated Property
Tc 886.86 K Joback Calculated Property
Tfus 347.14 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 577.77 J/mol×K 677.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
=C< 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 2
=CH- 1
-CH3 4
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 4-butyl-, methyl ester. 15-Acetoxy-ar-curcumene. (-)-ar-Curcumen-15-al. ar-Curcumen-15-ol. 4-Butylbenzoic acid, ethyl ester. Benzoic acid, 4-(1-methylethyl)-, methyl ester. 4-Butylbenzoic acid, 3-methylbut-2-enyl ester. P-cyclohexylbenzoic acid. 4-Butylbenzoic acid, undec-2-enyl ester. 4-Isobutylbenzoic acid, methyl. 4-Butylbenzoic acid, 3-chloroprop-2-enyl ester. 4-Tert-butylbenzoic acid methyl ester. 4-Butylbenzoic acid, pent-2-en-4-ynyl ester. Ethyl 4-t-butylbenzoate. 4-Butylbenzoic acid, pentyl ester.

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