Chemical Properties of Lavandulyl acetate (CAS 20777-39-3)

Lavandulyl acetate

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InChI
InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
InChI Key
HYNGAVZPWWXQIU-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
C=C(C)C(CC=C(C)C)COC(C)=O
Molecular Weight1
196.29
CAS
20777-39-3
Other Names
  • (-)-Lavandulyl acetate
  • Lavendulyl acetate
  • 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)-
  • (R)-2-isopropenyl-5-methylhex-4-enyl acetate
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Physical Properties

Property Value Unit Source
Δf -35.24 kJ/mol Joback Calculated Property
Δfgas -318.02 kJ/mol Joback Calculated Property
Δfus 22.40 kJ/mol Joback Calculated Property
Δvap 50.52 kJ/mol Joback Calculated Property
log10WS -3.17 Crippen Calculated Property
logPoct/wat 3.098 Crippen Calculated Property
McVol 178.780 ml/mol McGowan Calculated Property
Pc 2043.76 kPa Joback Calculated Property
Inp [1266.00; 1304.00]   Show Hide
Inp 1273.00 NIST
Inp 1274.00 NIST
Inp 1275.00 NIST
Inp 1276.00 NIST
Inp 1273.00 NIST
Inp 1274.00 NIST
Inp 1275.00 NIST
Inp 1276.00 NIST
Inp 1283.00 NIST
Inp 1273.00 NIST
Inp 1292.00 NIST
Inp Outlier 1304.00 NIST
Inp 1278.00 NIST
Inp 1268.00 NIST
Inp Outlier 1301.00 NIST
Inp 1276.00 NIST
Inp 1282.00 NIST
Inp 1290.00 NIST
Inp 1267.00 NIST
Inp 1272.00 NIST
Inp 1277.00 NIST
Inp 1293.00 NIST
Inp 1273.00 NIST
Inp 1290.00 NIST
Inp 1271.00 NIST
Inp 1273.00 NIST
Inp 1291.00 NIST
Inp 1289.00 NIST
Inp 1289.00 NIST
Inp 1289.00 NIST
Inp 1289.00 NIST
Inp 1298.00 NIST
Inp 1288.00 NIST
Inp 1291.00 NIST
Inp 1271.00 NIST
Inp 1271.00 NIST
Inp 1284.10 NIST
Inp 1275.00 NIST
Inp 1289.00 NIST
Inp 1275.00 NIST
Inp 1291.00 NIST
Inp 1292.00 NIST
Inp 1289.00 NIST
Inp 1283.00 NIST
Inp 1272.00 NIST
Inp 1272.00 NIST
Inp 1269.00 NIST
Inp 1272.00 NIST
Inp 1273.00 NIST
Inp 1274.00 NIST
Inp 1292.00 NIST
Inp 1273.00 NIST
Inp 1286.00 NIST
Inp 1294.00 NIST
Inp 1291.00 NIST
Inp 1276.00 NIST
Inp 1291.00 NIST
Inp 1283.00 NIST
Inp 1283.00 NIST
Inp 1278.00 NIST
Inp 1298.00 NIST
Inp 1266.00 NIST
Inp 1289.00 NIST
Inp 1276.00 NIST
Inp 1289.00 NIST
Inp 1289.00 NIST
Inp 1276.00 NIST
Inp 1289.00 NIST
Inp 1273.00 NIST
Inp 1274.00 NIST
I [1576.00; 1638.00]   Show Hide
I 1609.00 NIST
I 1596.00 NIST
I 1609.00 NIST
I 1594.00 NIST
I 1584.00 NIST
I 1602.00 NIST
I 1605.00 NIST
I 1606.00 NIST
I 1607.00 NIST
I 1594.00 NIST
I 1597.00 NIST
I 1597.00 NIST
I 1586.00 NIST
I Outlier 1576.00 NIST
I Outlier 1638.00 NIST
I 1593.00 NIST
I 1608.00 NIST
I 1606.00 NIST
I 1606.00 NIST
I 1615.00 NIST
I 1617.00 NIST
I 1617.00 NIST
I 1617.00 NIST
I 1610.00 NIST
I 1584.00 NIST
I 1594.00 NIST
I 1596.00 NIST
Tboil 550.41 K Joback Calculated Property
Tc 739.62 K Joback Calculated Property
Tfus 247.40 K Joback Calculated Property
Vc 0.689 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [425.81; 508.52] J/mol×K [550.41; 739.62] Show Hide
Cp,gas 425.81 J/mol×K 550.41 Joback Calculated Property
Cp,gas 441.39 J/mol×K 581.95 Joback Calculated Property
Cp,gas 456.21 J/mol×K 613.48 Joback Calculated Property
Cp,gas 470.31 J/mol×K 645.02 Joback Calculated Property
Cp,gas 483.71 J/mol×K 676.55 Joback Calculated Property
Cp,gas 496.44 J/mol×K 708.09 Joback Calculated Property
Cp,gas 508.52 J/mol×K 739.62 Joback Calculated Property

Similar Compounds

(E)-Sesquilavandulyl acetate. Lavandulyl propionate. Lavandulyl isobutyrate. Trifluoroacetyl-lavandulol. Lavandulyl butyrate. Lavandulyl isovalerate. Lavandulyl pentanoate. (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2-methylbutanoate. (.+/-.)-Lavandulol, chlorodifluoroacetate. Lavandulyl caproate. (.+/-.)-Lavandulol, pentafluoropropionate. (.+/-.)-Lavandulol, methyl ether. Lavandulyl 2-methylbutanoate. Pentadeca-2,5E,13-triene, 7-acetoxymethyl-10-methylene-2,6,14-trimethyl (Peucelinene acetate). Myraldyl acetate 1.

Find more compounds similar to Lavandulyl acetate.

Sources

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