Chemical Properties of (Z)-methyl jasmonate

(Z)-methyl jasmonate

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InChI
InChI=1S/C12H18O3/c1-3-4-5-6-9-10(12(14)15-2)7-8-11(9)13/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-/t9-,10+/m0/s1
InChI Key
LQBORWCRYHAYHJ-YVDHIRPGSA-N
Formula
C12H18O3
SMILES
CCC=CCC1C(=O)CCC1C(=O)OC
Molecular Weight1
210.27

Physical Properties

Property Value Unit Source
Δf -197.29 kJ/mol Joback Calculated Property
Δfgas -516.15 kJ/mol Joback Calculated Property
Δfus 24.34 kJ/mol Joback Calculated Property
Δvap 55.61 kJ/mol Joback Calculated Property
log10WS -2.25 Crippen Calculated Property
logPoct/wat 2.111 Crippen Calculated Property
McVol 173.790 ml/mol McGowan Calculated Property
Pc 2289.32 kPa Joback Calculated Property
Inp [1624.00; 1649.00]   Show Hide
Inp 1647.00 NIST
Inp 1624.00 NIST
Inp 1649.00 NIST
I [2365.00; 2407.00]   Show Hide
I 2399.00 NIST
I 2404.00 NIST
I 2400.00 NIST
I 2407.00 NIST
I 2365.00 NIST
I 2365.00 NIST
Tboil 632.84 K Joback Calculated Property
Tc 846.51 K Joback Calculated Property
Tfus 366.96 K Joback Calculated Property
Vc 0.658 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [470.19; 560.71] J/mol×K [632.84; 846.51] Show Hide
Cp,gas 470.19 J/mol×K 632.84 Joback Calculated Property
Cp,gas 487.70 J/mol×K 668.45 Joback Calculated Property
Cp,gas 504.24 J/mol×K 704.06 Joback Calculated Property
Cp,gas 519.80 J/mol×K 739.68 Joback Calculated Property
Cp,gas 534.40 J/mol×K 775.29 Joback Calculated Property
Cp,gas 548.03 J/mol×K 810.90 Joback Calculated Property
Cp,gas 560.71 J/mol×K 846.51 Joback Calculated Property

Similar Compounds

(Z)-Methyl epi-jasmonate. Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1«alpha»,2«alpha»(Z)]-. methyl epijasmonate. (+)-Jasmonic acid, methyl ester (cis). (E)-methyl jasmonate. Methyl epi-jasmonate. (+)-(Z)-Methyl epijasmonate. (-)-Jasmonic acid, methyl ester (trans). Methyl jasmonate. Methyl (Z)-epi-jasmonate. Methyl (Z)-jasmonate. (Z)-Methyl epi-jasmonate. Jasmonic acid, TBDMS. cis-Cyclohex-4-en-1,2-dicarboxylic acid, di(undecyl) ester. cis-Cyclohex-4-en-1,2-dicarboxylic acid, heptyl tridecyl ester.

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