Chemical Properties of 6,10-Dimethyl-4,5,9-undecatrien-2-one (CAS 16647-05-5)

6,10-Dimethyl-4,5,9-undecatrien-2-one

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InChI
InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7H,5,8,10H2,1-4H3
InChI Key
KLTSFSBBACTSHL-UHFFFAOYSA-N
Formula
C13H20O
SMILES
CC(C)=CCCC(C)=C=CCC(C)=O
Molecular Weight1
192.30
CAS
16647-05-5
Sources

Physical Properties

Property Value Unit Source
Δcsolid -7781.60 ± 2.50 kJ/mol NIST
Δf 201.28 kJ/mol Joback Calculated Property
Δfgas -46.59 kJ/mol Joback Calculated Property
Δfsolid -192.10 ± 2.50 kJ/mol NIST
Δfus 30.94 kJ/mol Joback Calculated Property
Δvap 51.79 kJ/mol Joback Calculated Property
logPoct/wat 3.81 Crippen Calculated Property
Pc 2071.76 kPa Joback Calculated Property
Tboil 562.06 K Joback Calculated Property
Tc 760.95 K Joback Calculated Property
Tfus 254.63 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 432.27 J/mol×K 562.06 Joback Calculated Property
Cp,liquid 413.40 J/mol×K 313.65 NIST
ΔvapH 63.60 ± 1.40 kJ/mol 385.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C= 1
=C< 2
-CH2- 3
=CH- 2
-CH3 4
>C=O (nonring) 1

Similar Compounds

3,5,9-Undecatrien-2-one, 6,10-dimethyl, #2. (E,E)-Pseudoionone. 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-. 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-. 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #3. 3,5,9-Undecatrien-2-one, 6,10-dimethyl-. (E,E)-Farnesyl acetone. 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-. (Z)-«alpha»-Farnesene. «alpha»-Farnesene (isomer 1). trans, trans-«beta»-farnesene. (Z,Z)-«alpha»-Farnesene. «alpha»-Farnesene. «alpha»-Farnesene (isomer 2). (E,E)-«alpha»-Farnesene.

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