InChI
1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
InChI key
CATSNJVOTSVZJV-UHFFFAOYSA-N
SMILES string
CCCCCC(C)=O
vapor density
3.94 (vs air)
vapor pressure
2.14 mmHg ( 20 °C)
autoignition temp.
739 °F
expl. lim.
1.11 %, 65 °F, 7.9 %, 121 °F
refractive index
n20/D 1.408 (lit.)
bp
149-150 °C (lit.)
mp
−35 °C (lit.)
density
0.82 g/mL at 25 °C (lit.)
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Shane Avison et al.
Journal of agricultural and food chemistry, 63(28), 6313-6318 (2015-06-23)
A new methodology is presented to measure water-air partition coefficients (Henry's constants) of volatiles, using APCI-MS. Significant advantages over other Henry's constant determination methods include the short measurement and sample preparation time and the possibility for simultaneous measurement of multiple
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