Chemical Properties of Methyl-Labd-7-enoate

Methyl-Labd-7-enoate

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InChI
InChI=1S/C21H36O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h9,11,15-18H,7-8,10,12-14H2,1-6H3/t15?,16-,17-,18?,21+/m0/s1
InChI Key
XXMMZZWGGUXLOO-UVLXHGEXSA-N
Formula
C21H36O2
SMILES
COC(=O)CC(C)CCC1C(C)C=CC2C(C)(C)CCCC12C
Molecular Weight1
320.51
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Physical Properties

Property Value Unit Source
ΔfG° -41.47 kJ/mol Joback Calculated Property
ΔfH°gas -578.65 kJ/mol Joback Calculated Property
ΔfusH° 29.12 kJ/mol Joback Calculated Property
ΔvapH° 68.69 kJ/mol Joback Calculated Property
log10WS -5.67 Crippen Calculated Property
logPoct/wat 5.620 Crippen Calculated Property
McVol 288.170 ml/mol McGowan Calculated Property
Pc 1281.91 kPa Joback Calculated Property
Inp 2218.00 NIST
Tboil 771.92 K Joback Calculated Property
Tc 983.45 K Joback Calculated Property
Tfus 441.23 K Joback Calculated Property
Vc 1.091 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [928.77; 1069.75] J/mol×K [771.92; 983.45] Show Hide
Cp,gas 928.77 J/mol×K 771.92 Joback Calculated Property
Cp,gas 953.28 J/mol×K 807.18 Joback Calculated Property
Cp,gas 977.11 J/mol×K 842.43 Joback Calculated Property
Cp,gas 1000.47 J/mol×K 877.69 Joback Calculated Property
Cp,gas 1023.57 J/mol×K 912.94 Joback Calculated Property
Cp,gas 1046.59 J/mol×K 948.20 Joback Calculated Property
Cp,gas 1069.75 J/mol×K 983.45 Joback Calculated Property

Similar Compounds

Methyl-Labd-8(17)-enoate. (S)-Ethyl 3-methyl-5-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)pentanoate. trans-carbomethoxy-2-tert-butylcyclohex-3-ene. cis-1-carbomethoxy-2-tert-butylcyclohex-3-ene. cis-1-carbomethoxy-5-tert-butylcyclohex-3-ene. (S)-Ethyl 3-methyl-5-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoate. 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,8a,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,8a«beta»,10a«alpha»)]-. 1-Naphthalenepentanoic acid, 1,4,4a,5,6,7,8,8a-octahydro-«beta»,2,5,5,8a-pentamethyl-. cis-1-carbomethoxy-2-methylcyclohex-3-ene. trans-carbomethoxy-2-methylcyclohex-3-ene. Methyl helifolen-15-oate. endo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 2-methyl, methyl ester. exo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, 2-methyl, methyl ester. (S)-Ethyl 3-methyl-5-((4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)pentanoate. trans-carbomethoxy-1,2-methylcyclohex-3-ene.

Find more compounds similar to Methyl-Labd-7-enoate.

Sources

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