Chemical Properties of cis-Valerenyl isovalerate (CAS 101527-75-7)

cis-Valerenyl isovalerate

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InChI
InChI=1S/C20H32O2/c1-13(2)10-19(21)22-12-14(3)11-17-8-6-15(4)18-9-7-16(5)20(17)18/h11,13,15,17-18H,6-10,12H2,1-5H3/b14-11+
InChI Key
QFANMAOKAWEBQA-SDNWHVSQSA-N
Formula
C20H32O2
SMILES
CC(=CC1CCC(C)C2CCC(C)=C12)COC(=O)CC(C)C
Molecular Weight1
304.47
CAS
101527-75-7
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Physical Properties

Property Value Unit Source
Δf 41.02 kJ/mol Joback Calculated Property
Δfgas -457.16 kJ/mol Joback Calculated Property
Δfus 37.20 kJ/mol Joback Calculated Property
Δvap 70.57 kJ/mol Joback Calculated Property
log10WS -5.59 Crippen Calculated Property
logPoct/wat 5.295 Crippen Calculated Property
McVol 269.780 ml/mol McGowan Calculated Property
Pc 1352.64 kPa Joback Calculated Property
Inp [1984.00; 2058.40]   Show Hide
Inp 2058.40 NIST
Inp 1984.00 NIST
Inp 2058.40 NIST
Inp 1984.00 NIST
Tboil 767.63 K Joback Calculated Property
Tc 975.63 K Joback Calculated Property
Tfus 400.16 K Joback Calculated Property
Vc 1.030 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [844.66; 952.35] J/mol×K [767.63; 975.63] Show Hide
Cp,gas 844.66 J/mol×K 767.63 Joback Calculated Property
Cp,gas 865.58 J/mol×K 802.30 Joback Calculated Property
Cp,gas 885.23 J/mol×K 836.96 Joback Calculated Property
Cp,gas 903.67 J/mol×K 871.63 Joback Calculated Property
Cp,gas 920.96 J/mol×K 906.29 Joback Calculated Property
Cp,gas 937.17 J/mol×K 940.96 Joback Calculated Property
Cp,gas 952.35 J/mol×K 975.63 Joback Calculated Property

Similar Compounds

trans-Valerenyl acetate. cis-Valerenyl acetate. Valerenyl acetate. (Z)-«gamma»-Curcumen-12-yl isovalerate. myrtenyl 3-methylbutanoate. Myrtenyl 3-methylvalerate. Glutaric acid, myrtenyl cyclohexylmethyl ester. Glutaric acid, myrtenyl 2-ethylhexyl ester. (-)-(1R,3R,6S,10S)-3«alpha»-Acetoxyamorpha-4,7(11)-diene. Glutaric acid, di(myrtenyl) ester. Glutaric acid, myrtenyl 3-methylbut-2-en-1-yl ester. Myrtenyl laureate. Myrtenyl caprate. Myrtenyl hexanoate. Myrtenyl 2-methyl butyrate.

Find more compounds similar to cis-Valerenyl isovalerate.

Sources

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