Chemical Properties of Italicen-12-yl isovalerate

Italicen-12-yl isovalerate

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InChI
InChI=1S/C20H32O2/c1-13(2)10-18(21)22-12-19(5)16-7-6-15(4)20(16)9-8-14(3)11-17(19)20/h11,13,15-17H,6-10,12H2,1-5H3/t15-,16+,17+,19+,20+/m1/s1
InChI Key
OTPQQSWJQFWGJD-ORZNMBHWSA-N
Formula
C20H32O2
SMILES
CC1=CC2C(C)(COC(=O)CC(C)C)C3CCC(C)C23CC1
Molecular Weight1
304.47
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Physical Properties

Property Value Unit Source
Δf 33.14 kJ/mol Joback Calculated Property
Δfgas -464.02 kJ/mol Joback Calculated Property
Δfus 27.40 kJ/mol Joback Calculated Property
Δvap 67.00 kJ/mol Joback Calculated Property
log10WS -5.14 Crippen Calculated Property
logPoct/wat 4.984 Crippen Calculated Property
McVol 263.220 ml/mol McGowan Calculated Property
Pc 1480.43 kPa Joback Calculated Property
Inp 2012.00 NIST
Tboil 756.89 K Joback Calculated Property
Tc 972.13 K Joback Calculated Property
Tfus 471.70 K Joback Calculated Property
Vc 1.008 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [842.97; 977.34] J/mol×K [756.89; 972.13] Show Hide
Cp,gas 842.97 J/mol×K 756.89 Joback Calculated Property
Cp,gas 865.76 J/mol×K 792.76 Joback Calculated Property
Cp,gas 888.05 J/mol×K 828.64 Joback Calculated Property
Cp,gas 910.10 J/mol×K 864.51 Joback Calculated Property
Cp,gas 932.16 J/mol×K 900.39 Joback Calculated Property
Cp,gas 954.49 J/mol×K 936.26 Joback Calculated Property
Cp,gas 977.34 J/mol×K 972.13 Joback Calculated Property

Similar Compounds

10-epi-Italicen-12-yl isovalerate. Italicen-12-yl acetate. 10-epi-Italicen-12-yl acetate. Italicen-12-yl 2-methylbutyrate. 10-epi-Italicen-12-yl 2-methylbutyrate. Italicen-12-yl isobutyrate. 10-epi-Italicen-12-yl isobutyrate. Cedr-8-en-13-yl, acetate. Myrtenyl 3-methylvalerate. 12-Hydroxy-«beta»-caryophyllene acetate. Myrtenyl laureate. Myrtenyl hexanoate. Myrtenyl caprate. myrtenyl 3-methylbutanoate. Glutaric acid, myrtenyl 2-ethylhexyl ester.

Find more compounds similar to Italicen-12-yl isovalerate.

Sources

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