Chemical Properties of Methyl 7,11-di-epi-6,10-epoxybisabol-3-en-12-oate

Methyl 7,11-di-epi-6,10-epoxybisabol-3-en-12-oate

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InChI
InChI=1S/C16H26O3/c1-11-7-9-16(10-8-11)12(2)5-6-14(19-16)13(3)15(17)18-4/h7,12-14H,5-6,8-10H2,1-4H3/t12-,13?,14?,16?/m0/s1
InChI Key
OLGPNLWRCFUIMD-BAYAOMGESA-N
Formula
C16H26O3
SMILES
COC(=O)C(C)C1CCC(C)C2(CC=C(C)CC2)O1
Molecular Weight1
266.38
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Physical Properties

Property Value Unit Source
Δf -170.51 kJ/mol Joback Calculated Property
Δfgas -599.64 kJ/mol Joback Calculated Property
Δfus 25.82 kJ/mol Joback Calculated Property
Δvap 64.67 kJ/mol Joback Calculated Property
log10WS -3.85 Crippen Calculated Property
logPoct/wat 3.480 Crippen Calculated Property
McVol 223.590 ml/mol McGowan Calculated Property
Pc 1905.24 kPa Joback Calculated Property
Inp 1774.00 NIST
Tboil 702.82 K Joback Calculated Property
Tc 928.10 K Joback Calculated Property
Tfus 405.03 K Joback Calculated Property
Vc 0.828 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [673.75; 788.92] J/mol×K [702.82; 928.10] Show Hide
Cp,gas 673.75 J/mol×K 702.82 Joback Calculated Property
Cp,gas 695.44 J/mol×K 740.37 Joback Calculated Property
Cp,gas 715.95 J/mol×K 777.91 Joback Calculated Property
Cp,gas 735.43 J/mol×K 815.46 Joback Calculated Property
Cp,gas 754.00 J/mol×K 853.00 Joback Calculated Property
Cp,gas 771.79 J/mol×K 890.55 Joback Calculated Property
Cp,gas 788.92 J/mol×K 928.10 Joback Calculated Property

Similar Compounds

Methyl 7-epi-6,10-epoxybisabol-3-en-12-oate. Methyl 6,10-epoxybisabol-3-en-12-oate. Methyl 11-epi-6,10-epoxybisabol-3-en-12-oate. Methyl 6,10-epoxybisabol-2-en-12-oate. Methyl 7-epi-6,10-epoxybisabol-2-en-12-oate. Methyl 7,11-di-epi-6,10-epoxybisabol-2-en-12-oate. Methyl 11-epi-6,10-epoxybisabol-2-en-12-oate. epi-GA1, MeTMSi. [13C]GA1 methyl ester TMS ether. [13C]endo-GA1 methyl ester TMS ether. [14C1]GA1 methyl ester TMS ether. 3-epi-GA1 methyl ester TMS ether. 3-epi-GA1, MeTMSi. [13C]3-epi-GA1 methyl ester TMS ether. GA1, Me-TMS.

Find more compounds similar to Methyl 7,11-di-epi-6,10-epoxybisabol-3-en-12-oate.

Sources

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