Chemical Properties of Geranyl benzoate (CAS 94-48-4)

Geranyl benzoate

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InChI
InChI=1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
InChI Key
YDVXYTIIPGKIJP-NTCAYCPXSA-N
Formula
C17H22O2
SMILES
CC(C)=CCCC(C)=CCOC(=O)c1ccccc1
Molecular Weight1
258.36
CAS
94-48-4
Other Names
  • 2,6-Octadien-1-ol, 3,7-dimethyl, benzoate, (E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-benzoate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, benzoate, (2E)-
  • Benzoic acid, geraniol ester
  • Benzoic acid, geranyl ester
  • FEMA No. 2511
  • Geraniol benzoate
  • trans-3,7-Dimethyl-2,6-octadien-1-yl benzoate
Sources

Physical Properties

Property Value Unit Source
Δf 114.09 kJ/mol Joback Calculated Property
Δfgas -187.62 kJ/mol Joback Calculated Property
Δfus 34.40 kJ/mol Joback Calculated Property
Δvap 64.94 kJ/mol Joback Calculated Property
logPoct/wat 4.54 Crippen Calculated Property
Pc 1796.98 kPa Joback Calculated Property
Tboil 699.41 K Joback Calculated Property
Tc 912.42 K Joback Calculated Property
Tfus 341.85 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 608.89 J/mol×K 699.41 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
=CH- 2
-CH3 3
>C=O (nonring) 1

Similar Compounds

Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester. 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. p-Toluic acid, undec-2-enyl ester. Neryl benzoate. (E)-2-Butenyl benzoate. P-toluic acid, 3-methylbut-2-enyl ester. 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-Fluorobenzoic acid, undec-2-enyl ester.

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