Chemical Properties of Methyl valerenate

Methyl valerenate

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InChI
InChI=1S/C16H24O2/c1-10-5-7-13(9-12(3)16(17)18-4)15-11(2)6-8-14(10)15/h9-10,13-14H,5-8H2,1-4H3/b12-9-/t10-,13-,14?/m1/s1
InChI Key
OQZLCTPJWLOFKS-JLQUNKRQSA-N
Formula
C16H24O2
SMILES
COC(=O)C(C)=CC1CCC(C)C2CCC(C)=C12
Molecular Weight1
248.36

Physical Properties

Property Value Unit Source
Δf 9.78 kJ/mol Joback Calculated Property
Δfgas -369.32 kJ/mol Joback Calculated Property
Δfus 30.36 kJ/mol Joback Calculated Property
Δvap 62.05 kJ/mol Joback Calculated Property
log10WS -4.15 Crippen Calculated Property
logPoct/wat 3.878 Crippen Calculated Property
McVol 213.420 ml/mol McGowan Calculated Property
Pc 1821.61 kPa Joback Calculated Property
Inp 1785.00 NIST
Tboil 676.55 K Joback Calculated Property
Tc 891.98 K Joback Calculated Property
Tfus 370.08 K Joback Calculated Property
Vc 0.811 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [613.88; 717.29] J/mol×K [676.55; 891.98] Show Hide
Cp,gas 613.88 J/mol×K 676.55 Joback Calculated Property
Cp,gas 633.99 J/mol×K 712.45 Joback Calculated Property
Cp,gas 652.88 J/mol×K 748.36 Joback Calculated Property
Cp,gas 670.60 J/mol×K 784.26 Joback Calculated Property
Cp,gas 687.20 J/mol×K 820.17 Joback Calculated Property
Cp,gas 702.75 J/mol×K 856.07 Joback Calculated Property
Cp,gas 717.29 J/mol×K 891.98 Joback Calculated Property

Similar Compounds

Valerenic acid. Valerenic acid, TMS. Valerenyl acetate. trans-Valerenyl acetate. cis-Valerenyl acetate. Valerenal. Valerenol (trans). Valerenol (cis). Valerenol. Methyl (E)-trans-«alpha»-bergamota-2,10-dien-12-oate. cis-Valerenyl isovalerate. Valerena-4,7(11)-diene. Methyl (E)-eremophila-1(10),7(11)-dien-12-oate. 14-Hydroxy-«delta»-cadinene. (-)-(1R,6S,10S)-Amorpha-4,7(11)-dien-3-one.

Find more compounds similar to Methyl valerenate.

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