Chemical Properties of cis-Chrysanthenyl acetate (CAS 67999-48-8)

cis-Chrysanthenyl acetate

InChI
InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3
InChI Key
UASZOTVHPVEMQR-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
CC(=O)OC1C2CC=C(C)C1C2(C)C
Molecular Weight1
194.27
CAS
67999-48-8
Other Names
  • (Z)-Chrysanthenyl acetate
  • Chrysanthenyl acetate (cis)
  • cis-Crysanthenyl acetate
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Physical Properties

Property Value Unit Source
ΔfusH° 22.05 kJ/mol Joback Calculated Property
logPoct/wat 2.540 Crippen Calculated Property
McVol 161.360 ml/mol McGowan Calculated Property
Inp [1223.00; 1267.00]   Show Hide
Inp 1251.00 NIST
Inp 1245.00 NIST
Inp 1253.00 NIST
Inp 1250.00 NIST
Inp 1242.00 NIST
Inp 1262.00 NIST
Inp 1239.00 NIST
Inp 1266.00 NIST
Inp 1257.00 NIST
Inp 1238.00 NIST
Inp 1267.00 NIST
Inp 1260.00 NIST
Inp 1262.00 NIST
Inp 1238.00 NIST
Inp 1263.00 NIST
Inp 1256.00 NIST
Inp 1264.00 NIST
Inp 1262.00 NIST
Inp 1263.00 NIST
Inp 1248.00 NIST
Inp 1261.00 NIST
Inp 1264.30 NIST
Inp 1262.00 NIST
Inp 1261.00 NIST
Inp 1267.00 NIST
Inp 1244.00 NIST
Inp 1253.00 NIST
Inp 1264.00 NIST
Inp 1264.00 NIST
Inp 1258.00 NIST
Inp Outlier 1230.00 NIST
Inp 1258.00 NIST
Inp 1263.00 NIST
Inp Outlier 1230.00 NIST
Inp 1265.00 NIST
Inp 1244.00 NIST
Inp 1248.00 NIST
Inp 1264.00 NIST
Inp 1256.00 NIST
Inp 1242.00 NIST
Inp 1262.00 NIST
Inp 1261.00 NIST
Inp 1263.00 NIST
Inp 1239.00 NIST
Inp 1263.00 NIST
Inp 1262.00 NIST
Inp 1267.00 NIST
Inp 1262.00 NIST
Inp 1262.00 NIST
Inp 1241.00 NIST
Inp 1263.00 NIST
Inp 1255.00 NIST
Inp Outlier 1223.00 NIST
Inp 1266.00 NIST
Inp 1266.00 NIST
Inp 1265.00 NIST
Inp 1257.00 NIST
Inp 1261.00 NIST
Inp 1260.00 NIST
Inp 1265.00 NIST
Inp 1254.00 NIST
Inp 1262.00 NIST
Inp 1262.00 NIST
Inp 1265.00 NIST
Inp 1253.00 NIST
Inp 1253.00 NIST
Inp 1248.00 NIST
Inp 1248.00 NIST
Inp 1260.00 NIST
Inp 1267.00 NIST
Inp 1258.00 NIST
Inp 1265.00 NIST
Inp 1242.00 NIST
Inp 1263.00 NIST
Inp 1241.00 NIST
Inp 1266.00 NIST
Inp 1253.00 NIST
Inp 1264.30 NIST
Inp 1238.00 NIST
Inp 1248.00 NIST
I [1533.00; 1590.00]   Show Hide
I 1546.00 NIST
I 1562.00 NIST
I 1544.00 NIST
I 1533.00 NIST
I 1540.00 NIST
I 1556.00 NIST
I 1566.00 NIST
I 1569.00 NIST
I 1582.00 NIST
I 1582.00 NIST
I 1582.00 NIST
I 1538.00 NIST
I 1590.00 NIST
I 1544.00 NIST
I 1569.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [221.29; 594.09] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.04250e+02
Coefficient B1.50468e+00
Coefficient C-1.27044e-03
Coefficient D4.64100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 221.29 J/mol×K 273.00 Calculated Property
Cp,gas 289.62 J/mol×K 353.78 Calculated Property
Cp,gas 347.79 J/mol×K 434.56 Calculated Property
Cp,gas 397.29 J/mol×K 515.33 Calculated Property
Cp,gas 439.57 J/mol×K 596.11 Calculated Property
Cp,gas 476.10 J/mol×K 676.89 Calculated Property
Cp,gas 508.35 J/mol×K 757.67 Calculated Property
Cp,gas 537.78 J/mol×K 838.44 Calculated Property
Cp,gas 565.88 J/mol×K 919.22 Calculated Property
Cp,gas 594.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, acetate, [1S-(1«alpha»,5«alpha»,6«beta»)]-. trans-Chrysanthenyl acetate. Chrysanthenyl acetate. Chrysanthenyl propanoate. cis-Chrysanthenyl propionate. cis-Chrysanthenyl isobutyrate. chrysanthenyl isovalerate II. cis-Chrysanthenyl butanoate. Chrysanthenyl isovalerate. chrysanthenyl isovalerate I. cis-Chrysanthenyl isovalerate. trans-Chrysanthenyl isovalerate. cis-Chrysanthenyl pentanoate. Chrysanthenyl hexanoate. Chrysantenyl 2-methuylbutanoate.

Find more compounds similar to cis-Chrysanthenyl acetate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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