Chemical Properties of Methyldavanate

Methyldavanate

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InChI
InChI=1S/C16H24O4/c1-6-16(4)10-9-14(20-16)12(3)13(17)8-7-11(2)15(18)19-5/h6-7,12,14H,1,8-10H2,2-5H3/b11-7+/t12?,14-,16-/m1/s1
InChI Key
ZWWRGHCKXZFVDX-WLWNCFMFSA-N
Formula
C16H24O4
SMILES
C=CC1(C)CCC(C(C)C(=O)CC=C(C)C(=O)OC)O1
Molecular Weight1
280.36
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Physical Properties

Property Value Unit Source
Δf -184.70 kJ/mol Joback Calculated Property
Δfgas -579.99 kJ/mol Joback Calculated Property
Δfus 32.36 kJ/mol Joback Calculated Property
Δvap 69.40 kJ/mol Joback Calculated Property
log10WS -3.33 Crippen Calculated Property
logPoct/wat 2.825 Crippen Calculated Property
McVol 231.720 ml/mol McGowan Calculated Property
Pc 1803.09 kPa Joback Calculated Property
Inp 1241.00 NIST
Tboil 733.72 K Joback Calculated Property
Tc 946.01 K Joback Calculated Property
Tfus 413.50 K Joback Calculated Property
Vc 0.876 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [679.42; 776.52] J/mol×K [733.72; 946.01] Show Hide
Cp,gas 679.42 J/mol×K 733.72 Joback Calculated Property
Cp,gas 697.13 J/mol×K 769.10 Joback Calculated Property
Cp,gas 714.05 J/mol×K 804.48 Joback Calculated Property
Cp,gas 730.33 J/mol×K 839.86 Joback Calculated Property
Cp,gas 746.09 J/mol×K 875.24 Joback Calculated Property
Cp,gas 761.44 J/mol×K 910.63 Joback Calculated Property
Cp,gas 776.52 J/mol×K 946.01 Joback Calculated Property

Similar Compounds

5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-, [2S-[2«alpha»(R*),5«alpha»]]-. Davanone B. davanone isomer+. Davanone C. Davanone D. Isodavanone. (S,Z)-5-Hydroxy-6-methyl-2-((2S,5R)-5-methyl-5-vinyltetrahydrofuran-2-yl)hepta-4,6-dien-3-one. 1,2-Dehydro-3-hydroxy-isodavanone. 3-Hydroxyisodavanone. 2-Hydroxyisodavanone. 1,2-Dehydro-3,4-dihydro-3-hydroxydavanone. 2-Hydroxyisodavanone D. «beta»-davan-2-ol. Nordavanone. Norodovanone.

Find more compounds similar to Methyldavanate.

Sources

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