Chemical Properties of Neryl butyrate (CAS 999-40-6)

Neryl butyrate

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InChI
InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-
InChI Key
ZSBOMYJPSRFZAL-RAXLEYEMSA-N
Formula
C14H24O2
SMILES
CCCC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
224.34
CAS
999-40-6
Other Names
  • Neryl butanoate
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Physical Properties

Property Value Unit Source
Δf -23.58 kJ/mol Joback Calculated Property
Δfgas -362.23 kJ/mol Joback Calculated Property
Δfus 32.59 kJ/mol Joback Calculated Property
Δvap 55.99 kJ/mol Joback Calculated Property
log10WS -4.25 Crippen Calculated Property
logPoct/wat 4.022 Crippen Calculated Property
McVol 206.960 ml/mol McGowan Calculated Property
Pc 1733.22 kPa Joback Calculated Property
Inp [1498.00; 1519.00]   Show Hide
Inp 1519.00 NIST
Inp 1498.00 NIST
Inp 1514.00 NIST
Inp 1519.00 NIST
Inp 1519.00 NIST
Inp 1498.00 NIST
I [1828.00; 1868.00]   Show Hide
I 1868.00 NIST
I 1828.00 NIST
I 1857.00 NIST
I 1858.00 NIST
I 1838.00 NIST
I 1868.00 NIST
I 1828.00 NIST
Tboil 604.09 K Joback Calculated Property
Tc 789.66 K Joback Calculated Property
Tfus 281.62 K Joback Calculated Property
Vc 0.805 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [527.13; 614.97] J/mol×K [604.09; 789.66] Show Hide
Cp,gas 527.13 J/mol×K 604.09 Joback Calculated Property
Cp,gas 543.66 J/mol×K 635.02 Joback Calculated Property
Cp,gas 559.39 J/mol×K 665.95 Joback Calculated Property
Cp,gas 574.35 J/mol×K 696.87 Joback Calculated Property
Cp,gas 588.58 J/mol×K 727.80 Joback Calculated Property
Cp,gas 602.10 J/mol×K 758.73 Joback Calculated Property
Cp,gas 614.97 J/mol×K 789.66 Joback Calculated Property

Similar Compounds

Farnesyl butyrate. Butanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. Farnesyl butanoate. Neryl valerate. Pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. (2E,6E)-Farnesyl pentanoate. Succinic acid, 3-methylbut-2-en-1-yl neryl ester. Succinic acid, di(geranyl) ester. Succinic acid, di(neryl) ester. Farnesyl hexanoate, (E,E)-. Neryl hexanoate. Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-. (Z,E)-Farnesyl caproate. (E,Z)-Farnesyl caproate. (Z,Z)-Farnesyl caproate.

Find more compounds similar to Neryl butyrate.

Sources

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