Chemical Properties of Myrtenyl acetate (CAS 1079-01-2)

Myrtenyl acetate

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InChI
InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3
InChI Key
BKATZVAUANSCKN-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
CC(=O)OCC1=CCC2CC1C2(C)C
Molecular Weight1
194.27
CAS
1079-01-2
Other Names
  • 2-Pinen-10-ol, acetate
  • Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)-
  • (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate
  • (+)-Myrtenyl acetate
  • myrtenalacetate
  • (1S)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate
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Physical Properties

Property Value Unit Source
Δf -67.23 kJ/mol Joback Calculated Property
Δfgas -355.16 kJ/mol Joback Calculated Property
Δfus 19.40 kJ/mol Joback Calculated Property
Δvap 50.95 kJ/mol Joback Calculated Property
log10WS -2.63 Crippen Calculated Property
logPoct/wat 2.542 Crippen Calculated Property
McVol 161.360 ml/mol McGowan Calculated Property
Pc 2485.07 kPa Joback Calculated Property
Inp [1284.00; 1336.90]   Show Hide
Inp 1284.00 NIST
Inp 1322.00 NIST
Inp 1325.00 NIST
Inp 1327.00 NIST
Inp 1299.00 NIST
Inp 1306.00 NIST
Inp 1328.00 NIST
Inp 1301.00 NIST
Inp 1307.00 NIST
Inp 1300.00 NIST
Inp 1306.00 NIST
Inp 1306.00 NIST
Inp 1301.00 NIST
Inp 1326.80 NIST
Inp 1336.90 NIST
Inp 1336.00 NIST
Inp 1332.00 NIST
Inp 1324.00 NIST
Inp 1335.00 NIST
Inp 1304.00 NIST
Inp 1332.00 NIST
Inp 1285.00 NIST
Inp 1324.00 NIST
Inp 1285.00 NIST
Inp 1323.00 NIST
Inp 1335.00 NIST
Inp 1332.00 NIST
Inp 1312.00 NIST
Inp 1310.00 NIST
Inp 1304.00 NIST
Inp 1299.00 NIST
Inp 1320.00 NIST
Inp 1293.00 NIST
Inp 1332.00 NIST
Inp 1326.00 NIST
Inp 1324.00 NIST
Inp 1297.00 NIST
Inp 1305.00 NIST
Inp 1290.00 NIST
Inp 1327.00 NIST
Inp 1327.00 NIST
Inp 1316.00 NIST
Inp 1316.00 NIST
Inp 1320.00 NIST
Inp 1297.00 NIST
Inp 1316.00 NIST
Inp 1332.00 NIST
Inp 1285.00 NIST
Inp 1322.00 NIST
Inp 1327.00 NIST
Inp 1307.00 NIST
I [1677.00; 1720.00]   Show Hide
I 1720.00 NIST
I 1683.00 NIST
I 1684.00 NIST
I 1677.00 NIST
I 1680.00 NIST
I 1680.00 NIST
I 1700.00 NIST
I 1701.00 NIST
I 1707.00 NIST
I 1685.00 NIST
I 1698.00 NIST
I 1700.00 NIST
I 1698.00 NIST
I 1704.00 NIST
I 1704.00 NIST
I 1698.00 NIST
I 1698.00 NIST
I 1698.00 NIST
I 1698.00 NIST
I 1704.00 NIST
I 1704.00 NIST
I 1720.00 NIST
Tboil 567.71 K Joback Calculated Property
Tc 778.17 K Joback Calculated Property
Tfus 362.46 K Joback Calculated Property
Vc 0.621 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [418.70; 507.64] J/mol×K [567.71; 778.17] Show Hide
Cp,gas 418.70 J/mol×K 567.71 Joback Calculated Property
Cp,gas 435.64 J/mol×K 602.79 Joback Calculated Property
Cp,gas 451.57 J/mol×K 637.86 Joback Calculated Property
Cp,gas 466.60 J/mol×K 672.94 Joback Calculated Property
Cp,gas 480.88 J/mol×K 708.02 Joback Calculated Property
Cp,gas 494.51 J/mol×K 743.09 Joback Calculated Property
Cp,gas 507.64 J/mol×K 778.17 Joback Calculated Property

Similar Compounds

(-)-Myrtenol, trifluoroacetate. myrtenyl 3-methylbutanoate. 2-pinen-10-yl isobutyrate. Glutaric acid, di(myrtenyl) ester. Myrtenyl laureate. Myrtenyl caprate. Myrtenyl hexanoate. Myrtenyl angelate. (-)-15-Acetoxygymnomitr-3-ene. Glutaric acid, myrtenyl 3-methylbut-2-en-1-yl ester. Myrtenyl 3-methylvalerate. 14-Acetoxy-«beta»-caryophyllene. 14-Hydroxy-«beta»-caryophyllene acetate. Myrtenyl formate. Myrtenyl 2-methyl butyrate.

Find more compounds similar to Myrtenyl acetate.

Sources

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