Chemical Properties of 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)- (CAS 3548-78-5)

3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-

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InChI
InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+
InChI Key
JXJIQCXXJGRKRJ-KOOBJXAQSA-N
Formula
C13H20O
SMILES
CC(=O)C=CC=C(C)CCC=C(C)C
Molecular Weight1
192.30
CAS
3548-78-5
Other Names
  • trans-«psi»-Ionone
  • trans,trans-Pseudoionone
  • (E,E)-Pseudoionone
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Physical Properties

Property Value Unit Source
Δcliquid -7712.40 ± 3.50 kJ/mol NIST
Δf 153.22 kJ/mol Joback Calculated Property
Δfgas -92.15 kJ/mol Joback Calculated Property
Δfliquid -261.50 ± 3.50 kJ/mol NIST
Δfus 29.01 kJ/mol Joback Calculated Property
Δvap 51.31 kJ/mol Joback Calculated Property
log10WS -4.11 Crippen Calculated Property
logPoct/wat 3.824 Crippen Calculated Property
McVol 182.700 ml/mol McGowan Calculated Property
Pc 1998.33 kPa Joback Calculated Property
Inp [1562.00; 1589.40]   Show Hide
Inp 1589.40 NIST
Inp 1562.00 NIST
Inp 1563.00 NIST
Inp 1589.40 NIST
I [2073.00; 2073.00]   Show Hide
I 2073.00 NIST
I 2073.00 NIST
Tboil 562.95 K Joback Calculated Property
Tc 759.70 K Joback Calculated Property
Tfus 243.04 K Joback Calculated Property
Vc 0.712 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [430.05; 513.34] J/mol×K [562.95; 759.70] Show Hide
Cp,gas 430.05 J/mol×K 562.95 Joback Calculated Property
Cp,gas 445.99 J/mol×K 595.74 Joback Calculated Property
Cp,gas 461.03 J/mol×K 628.53 Joback Calculated Property
Cp,gas 475.23 J/mol×K 661.33 Joback Calculated Property
Cp,gas 488.64 J/mol×K 694.12 Joback Calculated Property
Cp,gas 501.32 J/mol×K 726.91 Joback Calculated Property
Cp,gas 513.34 J/mol×K 759.70 Joback Calculated Property

Similar Compounds

3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,Z)-. (E,E)-Pseudoionone. 3,5,9-Undecatrien-2-one, 6,10-dimethyl-. 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #2. 3,5,9-Undecatrien-2-one, 6,10-dimethyl, #3. (E,E)-Farnesyl acetone. 1,3,7-Cyclodecatriene, 1,7-dimethyl-, (Z,E,E,)-. Pregeijerene. (Z)-4,8-dimethyl-1,3,7-nonatriene. 4,8-Dimethyl-1,3,7-nonatriene. (E)-4,8-Dimethylnona-1,3,7-triene. (E)-4,8-Dimethyl-1,3,7-nonatriene. 1-Methyl-1,3-cyclohexadiene. (Z)2,(E)4,(E)6-ALLOFARNESENE. (E)2,(Z)4,(E)6-ALLOFARNESENE.

Find more compounds similar to 3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-.

Sources

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