Chemical Properties of Oxacyclohexadecan-2-one (CAS 106-02-5)

Oxacyclohexadecan-2-one

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InChI
InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
InChI Key
FKUPPRZPSYCDRS-UHFFFAOYSA-N
Formula
C15H28O2
SMILES
O=C1CCCCCCCCCCCCCCO1
Molecular Weight1
240.38
CAS
106-02-5
Other Names
  • 1,15-Pentadecanolide
  • 15-Hydroxypentadecanoic acid, lactone
  • 15-Pentadecanolactone
  • 15-Pentadecanolide
  • 2-Pentadecalone
  • Cyclopentadecanolactone
  • Cyclopentadecanolide
  • Exaltolide
  • Muskalactone
  • Muskolactone
  • NSC 36763
  • Pentadecalactone
  • Pentadecan-15-olide
  • Pentadecano-15-lactone
  • Pentadecanoic acid, 15-hydroxy-, «xi»-lactone
  • Pentadecanolactone
  • Pentadecanolide
  • Pentalide
  • Thibetolide
Sources

Physical Properties

Property Value Unit Source
Δcsolid -9196.00 ± 4.00 kJ/mol NIST
Δcsolid -9178.10 ± 8.80 kJ/mol NIST
Δf -222.13 kJ/mol Joback Calculated Property
Δfgas -609.57 kJ/mol Joback Calculated Property
Δfsolid -709.00 ± 4.00 kJ/mol NIST
Δfsolid -725.50 ± 9.00 kJ/mol NIST
Δfus 11.86 kJ/mol Joback Calculated Property
Δvap 60.20 kJ/mol Joback Calculated Property
logPoct/wat 4.61 Crippen Calculated Property
Pc 2175.46 kPa Joback Calculated Property
solid,1 bar 482.90 J/mol×K NIST
solid,1 bar 482.80 J/mol×K NIST
Tboil 704.29 K Joback Calculated Property
Tc 972.50 K Joback Calculated Property
Tfus 310.20 ± 1.00 K NIST
Tfus 310.15 ± 0.60 K NIST
Ttriple 308.50 ± 0.10 K NIST
Ttriple 308.50 ± 1.00 K NIST
Ttriple 308.50 ± 0.10 K NIST
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 665.09 J/mol×K 704.29 Joback Calculated Property
Cp,solid 444.60 J/mol×K 298.15 NIST
Cp,solid 444.30 J/mol×K 298.15 NIST
ΔfusH 27.30 kJ/mol 283.0 NIST
ΔfusH 6.99 kJ/mol 308.5 NIST
ΔsubH 81.30 kJ/mol 300.0 NIST
ΔvapH 74.20 kJ/mol 315.0 NIST
ΔvapH 78.20 kJ/mol 403.0 NIST
ΔfusS 96.47 J/mol×K 283.0 NIST
ΔfusS 22.65 J/mol×K 308.5 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
>C=O (ring) 1
-CH2- (ring) 14

Similar Compounds

Sebacic acid, hexyl undecyl ester. Sebacic acid, diheptyl ester. Sebacic acid, decyl propyl ester. Sebacic acid, ethyl tetradecyl ester. Hexyl laurate. Sebacic acid, heptyl pentyl ester. Sebacic acid, butyl pentadecyl ester. Hexadecanoic acid, dodecyl ester. Sebacic acid, heptyl hexyl ester. Diamyl azelate. Sebacic acid, dinonyl ester. Sebacic acid, propyl undecyl ester. Octyl myristate. Sebacic acid, octyl undecyl ester. Sebacic acid, ethyl octyl ester.

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