Chemical Properties of cis-Valerenyl acetate (CAS 101527-78-0)

cis-Valerenyl acetate

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InChI
InChI=1S/C17H26O2/c1-11(10-19-14(4)18)9-15-7-5-12(2)16-8-6-13(3)17(15)16/h9,12,15-16H,5-8,10H2,1-4H3/b11-9-
InChI Key
GMTBKCJRMNJNFL-LUAWRHEFSA-N
Formula
C17H26O2
SMILES
CC(=O)OCC(C)=CC1CCC(C)C2CCC(C)=C12
Molecular Weight1
262.39
CAS
101527-78-0
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Physical Properties

Property Value Unit Source
Δf 18.20 kJ/mol Joback Calculated Property
Δfgas -389.96 kJ/mol Joback Calculated Property
Δfus 32.95 kJ/mol Joback Calculated Property
Δvap 64.28 kJ/mol Joback Calculated Property
log10WS -4.57 Crippen Calculated Property
logPoct/wat 4.268 Crippen Calculated Property
McVol 227.510 ml/mol McGowan Calculated Property
Pc 1681.03 kPa Joback Calculated Property
Inp [1804.60; 1828.60]   Show Hide
Inp 1804.60 NIST
Inp 1828.60 NIST
Inp 1804.60 NIST
Tboil 699.43 K Joback Calculated Property
Tc 911.60 K Joback Calculated Property
Tfus 381.35 K Joback Calculated Property
Vc 0.868 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [669.84; 774.33] J/mol×K [699.43; 911.60] Show Hide
Cp,gas 669.84 J/mol×K 699.43 Joback Calculated Property
Cp,gas 690.13 J/mol×K 734.79 Joback Calculated Property
Cp,gas 709.20 J/mol×K 770.15 Joback Calculated Property
Cp,gas 727.09 J/mol×K 805.51 Joback Calculated Property
Cp,gas 743.88 J/mol×K 840.88 Joback Calculated Property
Cp,gas 759.60 J/mol×K 876.24 Joback Calculated Property
Cp,gas 774.33 J/mol×K 911.60 Joback Calculated Property

Similar Compounds

Valerenyl acetate. trans-Valerenyl acetate. cis-Valerenyl isovalerate. Valerenol. Valerenol (trans). Valerenol (cis). (Z)-«gamma»-Curcumen-12-yl acetate. Methyl valerenate. trans-«alpha»-Bergamotol acetate. trans-«alpha»-bergamatol acetate. «alpha»-trans-Bergamotyl acetate. (E)-«beta»-Santalol acetate. epi-«beta»-Santalol, acetate. (E)-Santalol acetate. (E)-Eremophila-1(10),7(11)-dien-12-yl acetate.

Find more compounds similar to cis-Valerenyl acetate.

Sources

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