Chemical Properties of (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate

(E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate

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InChI
InChI=1S/C19H32O3/c1-8-19(7,21)11-9-10-16(6)13-17(12-14(2)3)22-18(20)15(4)5/h8,10,12,15,17,21H,1,9,11,13H2,2-7H3/b16-10+
InChI Key
FSIHKFFUYHQELZ-MHWRWJLKSA-N
Formula
C19H32O3
SMILES
C=CC(C)(O)CCC=C(C)CC(C=C(C)C)OC(=O)C(C)C
Molecular Weight1
308.46
Other Names
  • 3-Hydroxy-3,7,11-trimethyldodeca-1,6(E),10-trien-9-yl isobutyrate
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Physical Properties

Property Value Unit Source
Δf -32.50 kJ/mol Joback Calculated Property
Δfgas -511.54 kJ/mol Joback Calculated Property
Δfus 33.88 kJ/mol Joback Calculated Property
Δvap 81.06 kJ/mol Joback Calculated Property
log10WS -5.44 Crippen Calculated Property
logPoct/wat 4.574 Crippen Calculated Property
McVol 278.980 ml/mol McGowan Calculated Property
Pc 1358.63 kPa Joback Calculated Property
Inp [1881.00; 1882.00]   Show Hide
Inp 1881.00 NIST
Inp 1882.00 NIST
Inp 1881.00 NIST
I [2475.00; 2485.00]   Show Hide
I 2475.00 NIST
I 2485.00 NIST
I 2475.00 NIST
Tboil 803.24 K Joback Calculated Property
Tc 995.43 K Joback Calculated Property
Tfus 369.45 K Joback Calculated Property
Vc 1.062 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [850.50; 936.31] J/mol×K [803.24; 995.43] Show Hide
Cp,gas 850.50 J/mol×K 803.24 Joback Calculated Property
Cp,gas 866.69 J/mol×K 835.27 Joback Calculated Property
Cp,gas 882.03 J/mol×K 867.30 Joback Calculated Property
Cp,gas 896.60 J/mol×K 899.34 Joback Calculated Property
Cp,gas 910.46 J/mol×K 931.37 Joback Calculated Property
Cp,gas 923.67 J/mol×K 963.40 Joback Calculated Property
Cp,gas 936.31 J/mol×K 995.43 Joback Calculated Property

Similar Compounds

(E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl 2-methylbutyrate. 3-Hydroxy-3,7,11-trimethyldodeca-1,6(E),10-trien-9-yl propanoate. threo-trans-Bejarol (5,9-Epoxynerolidol). cis-Bejarol. Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-. Costunolide. 5,8-Epoxyamorpha-3,7(11)-diene. Hanphyllin. 6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol. 3,6-diepi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol. 6-epi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol. 3-epi-6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol. 9-Hydroxynerolidol. Germacranolide callitris. Glutaric acid, myrtenyl 2-methylpent-3-yl ester.

Find more compounds similar to (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate.

Sources

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