Chemical Properties of Methyl 7-epi-6,10-epoxybisabol-2-en-12-oate

Methyl 7-epi-6,10-epoxybisabol-2-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/h7,9,11-14H,5-6,8,10H2,1-4H3/t11?,12-,13?,14?,16?/m0/s1
InChI Key
GUKDPQPFRORGOO-WBNCRLLSSA-N
Formula
C16H26O3
SMILES
COC(=O)C(C)C1CCC(C)C2(C=CC(C)CC2)O1
Molecular Weight1
266.38
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Physical Properties

Property Value Unit Source
Δf -168.59 kJ/mol Joback Calculated Property
Δfgas -608.51 kJ/mol Joback Calculated Property
Δfus 27.28 kJ/mol Joback Calculated Property
Δvap 63.70 kJ/mol Joback Calculated Property
log10WS -3.61 Crippen Calculated Property
logPoct/wat 3.335 Crippen Calculated Property
McVol 223.590 ml/mol McGowan Calculated Property
Pc 1875.65 kPa Joback Calculated Property
Inp 1763.00 NIST
Tboil 693.17 K Joback Calculated Property
Tc 917.68 K Joback Calculated Property
Tfus 388.27 K Joback Calculated Property
Vc 0.827 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [675.80; 793.80] J/mol×K [693.17; 917.68] Show Hide
Cp,gas 675.80 J/mol×K 693.17 Joback Calculated Property
Cp,gas 698.16 J/mol×K 730.59 Joback Calculated Property
Cp,gas 719.27 J/mol×K 768.01 Joback Calculated Property
Cp,gas 739.27 J/mol×K 805.42 Joback Calculated Property
Cp,gas 758.27 J/mol×K 842.84 Joback Calculated Property
Cp,gas 776.40 J/mol×K 880.26 Joback Calculated Property
Cp,gas 793.80 J/mol×K 917.68 Joback Calculated Property

Similar Compounds

Methyl 7,11-di-epi-6,10-epoxybisabol-2-en-12-oate. Methyl 6,10-epoxybisabol-2-en-12-oate. Methyl 11-epi-6,10-epoxybisabol-2-en-12-oate. GA87, MeTMSi. 12-«alpha»-Hydroxy-GA3 = GA87, Me-TMS. 12-«beta»-Hydroxy-GA3, MeTMSi. 3-Epi-GA, MeTMS. GA3, MeTMSi. iso[14C] GA3 methyl ester TMS ether. [13C]GA3 methyl ester TMS ether. Iso-GA3, MeTMSi. [14C4]GA7 methyl ester TMS ether. [14C1]GA7 methyl ester TMS ether. GA7, MeTMS. Iso-GA7, MeTMS.

Find more compounds similar to Methyl 7-epi-6,10-epoxybisabol-2-en-12-oate.

Sources

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