Chemical Properties of Citronellyl tiglate (CAS 24717-85-9)

Citronellyl tiglate

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InChI
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6-
InChI Key
UCFQYMKLDPWFHZ-NSIKDUERSA-N
Formula
C15H26O2
SMILES
CC=C(C)C(=O)OCCC(C)CCC=C(C)C
Molecular Weight1
238.37
CAS
24717-85-9
Other Names
  • 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (E)-
  • 3,7-Dimethyl-6-octenyl (2E)-2-methyl-2-butenoate
  • E-Citronellyl tiglate
  • Tiglic acid citronellyl ester
  • Crotonic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (E)-
  • 3,7-Dimethyloct-6-enyl (E)-2-methylbut-2-enoate
  • 3,7-dimethyl-6-octenyl 2-methylcrotonate
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Physical Properties

Property Value Unit Source
Δf -17.60 kJ/mol Joback Calculated Property
Δfgas -388.15 kJ/mol Joback Calculated Property
Δfus 31.65 kJ/mol Joback Calculated Property
Δvap 57.83 kJ/mol Joback Calculated Property
log10WS -4.43 Crippen Calculated Property
logPoct/wat 4.268 Crippen Calculated Property
McVol 221.050 ml/mol McGowan Calculated Property
Pc 1612.88 kPa Joback Calculated Property
Inp [1625.00; 1670.60]   Show Hide
Inp 1645.00 NIST
Inp 1645.00 NIST
Inp 1645.00 NIST
Inp 1644.00 NIST
Inp 1645.00 NIST
Inp 1645.00 NIST
Inp 1645.00 NIST
Inp 1667.00 NIST
Inp 1670.60 NIST
Inp 1658.00 NIST
Inp 1647.00 NIST
Inp Outlier 1625.00 NIST
Inp 1658.00 NIST
Inp 1670.60 NIST
Inp 1658.00 NIST
Inp 1645.00 NIST
Inp 1667.00 NIST
I [1991.00; 2010.00]   Show Hide
I 2010.00 NIST
I 1991.00 NIST
I 2010.00 NIST
Tboil 626.53 K Joback Calculated Property
Tc 813.52 K Joback Calculated Property
Tfus 277.89 K Joback Calculated Property
Vc 0.856 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [580.04; 671.98] J/mol×K [626.53; 813.52] Show Hide
Cp,gas 580.04 J/mol×K 626.53 Joback Calculated Property
Cp,gas 597.38 J/mol×K 657.69 Joback Calculated Property
Cp,gas 613.87 J/mol×K 688.86 Joback Calculated Property
Cp,gas 629.53 J/mol×K 720.02 Joback Calculated Property
Cp,gas 644.42 J/mol×K 751.19 Joback Calculated Property
Cp,gas 658.56 J/mol×K 782.35 Joback Calculated Property
Cp,gas 671.98 J/mol×K 813.52 Joback Calculated Property

Similar Compounds

Z-Citronellyl tiglate. Citronellyl isocrotonate. 2-Butenoic acid, 3,7-dimethyl-6-octenyl ester. Citronellyl 3-methyl-2-butenoate. 6-Octen-1-ol, 3,7-dimethyl-, propanoate. Succinic acid, 3,7-dimethyloct-6-en-1-yl propyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl isohexyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl hexyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl pentyl ester. Succinic acid, butyl 3,7-dimethyloct-6-en-1-yl ester. Succinic acid, di(3,7-dimethyloct-6-en-1-yl) ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl dodecyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl tetradecyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl hexadecyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl octyl ester.

Find more compounds similar to Citronellyl tiglate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.