Chemical Properties of Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester

Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester

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InChI
InChI=1S/C22H30O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-24-22(23)21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
InChI Key
IBDUXGXSPANFLU-YEFHWUCQSA-N
Formula
C22H30O2
SMILES
CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)c1ccccc1
Molecular Weight1
326.47
Other Names
  • (2E, 6E)-Farnesyl benzoate
Sources

Physical Properties

Property Value Unit Source
Δf 227.86 kJ/mol Joback Calculated Property
Δfgas -183.39 kJ/mol Joback Calculated Property
Δfus 46.24 kJ/mol Joback Calculated Property
Δvap 76.11 kJ/mol Joback Calculated Property
logPoct/wat 6.26 Crippen Calculated Property
Pc 1292.07 kPa Joback Calculated Property
Tboil 817.85 K Joback Calculated Property
Tc 1028.75 K Joback Calculated Property
Tfus 379.16 K Joback Calculated Property
Vc 1.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 867.79 J/mol×K 817.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 4
=CH- (ring) 5
=C< (ring) 1
-CH2- 5
=C< 3
=CH- 3
>C=O (nonring) 1

Similar Compounds

Geranyl benzoate. E-2-hexenyl benzoate. Pent-2-en-1-yl benzoate. 2-Buten-1-ol, 3-methyl-, benzoate. (E)-3,7-Dimethylocta-2,6-dienyl 3-chlorobenzoate. Neryl benzoate. p-Toluic acid, undec-2-enyl ester. P-toluic acid, 3-methylbut-2-enyl ester. (E)-2-Butenyl benzoate. 4-Chlorobenzoic acid, undec-2-enyl ester. p-Toluic acid, oct-3-en-2-yl ester. 4-Bromobenzoic acid, undec-2-enyl ester. Benzoic acid, 2-propenyl ester. 4-Ethylbenzoic acid, undec-2-enyl ester. 4-Cyanobenzoic acid, undec-2-enyl ester.

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