Chemical Properties of Patchoulyl acetate

Patchoulyl acetate

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InChI
InChI=1S/C17H28O2/c1-11-6-9-17(19-12(2)18)15(3,4)13-7-8-16(17,5)14(11)10-13/h11,13-14H,6-10H2,1-5H3/t11?,13?,14?,16-,17+/m0/s1
InChI Key
ZCUUERVRGQEHFO-CADBEIPOSA-N
Formula
C17H28O2
SMILES
CC(=O)OC12CCC(C)C3CC(CCC31C)C2(C)C
Molecular Weight1
264.40
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Physical Properties

Property Value Unit Source
Δf -23.21 kJ/mol Joback Calculated Property
Δfgas -448.23 kJ/mol Joback Calculated Property
Δfus 17.10 kJ/mol Joback Calculated Property
Δvap 58.30 kJ/mol Joback Calculated Property
log10WS -4.39 Crippen Calculated Property
logPoct/wat 4.181 Crippen Calculated Property
McVol 225.250 ml/mol McGowan Calculated Property
Pc 1845.16 kPa Joback Calculated Property
Inp [2001.00; 2001.00]   Show Hide
Inp 2001.00 NIST
Inp 2001.00 NIST
Inp 2001.00 NIST
Tboil 680.12 K Joback Calculated Property
Tc 906.53 K Joback Calculated Property
Tfus 459.27 K Joback Calculated Property
Vc 0.858 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [690.49; 825.06] J/mol×K [680.12; 906.53] Show Hide
Cp,gas 690.49 J/mol×K 680.12 Joback Calculated Property
Cp,gas 713.37 J/mol×K 717.86 Joback Calculated Property
Cp,gas 735.56 J/mol×K 755.59 Joback Calculated Property
Cp,gas 757.45 J/mol×K 793.33 Joback Calculated Property
Cp,gas 779.41 J/mol×K 831.06 Joback Calculated Property
Cp,gas 801.82 J/mol×K 868.80 Joback Calculated Property
Cp,gas 825.06 J/mol×K 906.53 Joback Calculated Property

Similar Compounds

9«alpha»-acetoxy-presilphiperfolane. 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-. Caryophyllene acetate. Ledol, acetate. Lanostan-3-yl acetate. 24-Methyllanostanol acetate. 4,4-Dimethylcholestanol acetate. Androstan-17-ol, acetate, (5«alpha»,17«beta»)-. Peculiaroxide. «beta»-Dihydroagarafuran. (3R,5aR,9S,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine. Dihydroagarofurane. 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, [3R-(3«alpha»,5a«alpha»,9«alpha»,9a«alpha»)]-. «alpha»-Dihydroagarofuran. isodihydroagarofuran.

Find more compounds similar to Patchoulyl acetate.

Sources

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