Chemical Properties of 2-Oxepanone, 7-hexyl- (CAS 16429-21-3)

2-Oxepanone, 7-hexyl-

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InChI
InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3
InChI Key
FRTMRFCNTDDSOB-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
CCCCCCC1CCCCC(=O)O1
Molecular Weight1
198.30
CAS
16429-21-3
Other Names
  • «epsilon»-Dodecalactone
  • 7-Hexyl-2-oxepanone
  • 6-Hexylhexan-6-olide
  • 7-hexyloxepan-2-one
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Physical Properties

Property Value Unit Source
Δf -146.20 kJ/mol Joback Calculated Property
Δfgas -512.55 kJ/mol Joback Calculated Property
Δfus 24.06 kJ/mol Joback Calculated Property
Δvap 51.66 kJ/mol Joback Calculated Property
log10WS -3.71 Crippen Calculated Property
logPoct/wat 3.443 Crippen Calculated Property
McVol 176.520 ml/mol McGowan Calculated Property
Pc 2237.64 kPa Joback Calculated Property
I [2264.00; 2264.00]   Show Hide
I 2264.00 NIST
I 2264.00 NIST
Tboil 592.55 K Joback Calculated Property
Tc 804.62 K Joback Calculated Property
Tfus 323.65 K Joback Calculated Property
Vc 0.660 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [473.32; 579.96] J/mol×K [592.55; 804.62] Show Hide
Cp,gas 473.32 J/mol×K 592.55 Joback Calculated Property
Cp,gas 493.76 J/mol×K 627.90 Joback Calculated Property
Cp,gas 513.14 J/mol×K 663.24 Joback Calculated Property
Cp,gas 531.45 J/mol×K 698.59 Joback Calculated Property
Cp,gas 548.69 J/mol×K 733.93 Joback Calculated Property
Cp,gas 564.86 J/mol×K 769.28 Joback Calculated Property
Cp,gas 579.96 J/mol×K 804.62 Joback Calculated Property

Similar Compounds

6-heptadecalactone. 10-Oxahexadecanolide. Sebacic acid, di(4-octyl) ester. Pimelic acid, di(4-octyl) ester. Cyclohexyl heptadecanoate. Cyclohexyl undecanoate. Cyclohexyl stearate. Cyclohexyl tridecanoate. Cyclohexyl nonadecanoate. Nonanoic acid, cyclohexyl ester. Cyclohexyl pentadecanoate. Decanoic acid, cyclohexyl ester. Octanoic acid, cyclohexyl ester. Cyclohexyl myristate. Hexadecanoic acid, cyclohexyl ester.

Find more compounds similar to 2-Oxepanone, 7-hexyl-.

Sources

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