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
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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
log10WS -7.14 Crippen Calculated Property
logPoct/wat 6.263 Crippen Calculated Property
McVol 291.620 ml/mol McGowan Calculated Property
Pc 1292.07 kPa Joback Calculated Property
I [3132.00; 3132.00]   Show Hide
I 3132.00 NIST
I 3132.00 NIST
Tboil 817.85 K Joback Calculated Property
Tc 1028.75 K Joback Calculated Property
Tfus 379.16 K Joback Calculated Property
Vc 1.127 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [867.79; 961.99] J/mol×K [817.85; 1028.75] Show Hide
Cp,gas 867.79 J/mol×K 817.85 Joback Calculated Property
Cp,gas 885.72 J/mol×K 853.00 Joback Calculated Property
Cp,gas 902.64 J/mol×K 888.15 Joback Calculated Property
Cp,gas 918.63 J/mol×K 923.30 Joback Calculated Property
Cp,gas 933.79 J/mol×K 958.45 Joback Calculated Property
Cp,gas 948.21 J/mol×K 993.60 Joback Calculated Property
Cp,gas 961.99 J/mol×K 1028.75 Joback Calculated Property

Similar Compounds

Geranyl benzoate. (E)-3,7-Dimethylocta-2,6-dienyl 3-chlorobenzoate. Neryl benzoate. (E)-3,7-Dimethylocta-2,6-dienyl trimethylsilyl phthalate. (E)-3,7-dimethylocta-2,6-dienyl anthranilate. tert-Butyldimethylsilyl (E)-3,7-dimethylocta-2,6-dienyl phthalate. E-2-Hexenyl benzoate. 4-Cyanobenzoic acid, undec-2-enyl ester. Isophthalic acid, di(undec-2-en-1-yl) ester. (E)-Dodec-2-enyl 3-chlorobenzoate. 2-Bromobenzoic acid, undec-2-enyl ester. Isophthalic acid, ethyl undec-2-en-1-yl ester. 1-Naphthoic acid, undec-2-enyl ester. 4-(Trifluoromethyl)benzoic acid, undec-2-enyl ester. 2-Trifluoromethylbenzoic acid, undec-2-enyl ester.

Find more compounds similar to Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester.

Sources

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