Chemical Properties of 3,5-Octadien-2-one, (E,E)- (CAS 30086-02-3)

3,5-Octadien-2-one, (E,E)-

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InChI
InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
InChI Key
LWRKMRFJEUFXIB-YTXTXJHMSA-N
Formula
C8H12O
SMILES
CCC=CC=CC(C)=O
Molecular Weight1
124.18
CAS
30086-02-3
Other Names
  • (3E,5E)-3,5-Octadien-2-one
  • 3,5-(E,E)-Octadien-2-one
  • (E)-3,(E)-5-Octadien-2-one
  • (E,E)-3,5-Octadien-2-one
  • (E,E)-Octa-3,5-dien-2-one
  • Octa-3(E),5(E)-dien-2-one
  • trans-3,trans-5-Octadien-2-one
  • trans,trans-3,5-Octadien-2-one
  • (E,E) 3,5-Octadiene-2-one

Physical Properties

Property Value Unit Source
Δf 48.00 kJ/mol Joback Calculated Property
Δfgas -86.59 kJ/mol Joback Calculated Property
Δfus 18.48 kJ/mol Joback Calculated Property
Δvap 40.06 kJ/mol Joback Calculated Property
log10WS -2.16 Crippen Calculated Property
logPoct/wat 2.098 Crippen Calculated Property
McVol 116.550 ml/mol McGowan Calculated Property
Pc 3022.28 kPa Joback Calculated Property
Inp [1057.00; 1107.00]   Show Hide
Inp 1072.00 NIST
Inp 1072.00 NIST
Inp 1098.00 NIST
Inp 1100.00 NIST
Inp 1083.00 NIST
Inp 1068.00 NIST
Inp Outlier 1107.00 NIST
Inp 1068.00 NIST
Inp 1093.60 NIST
Inp 1057.00 NIST
Inp 1074.00 NIST
Inp 1063.00 NIST
Inp 1063.00 NIST
Inp 1068.00 NIST
Inp 1069.00 NIST
Inp 1072.00 NIST
Inp 1072.00 NIST
Inp 1073.00 NIST
Inp 1068.00 NIST
Inp 1066.00 NIST
Inp 1091.00 NIST
Inp 1072.00 NIST
Inp 1068.00 NIST
Inp 1063.00 NIST
I [1521.00; 1610.00]   Show Hide
I 1524.00 NIST
I 1569.00 NIST
I 1570.00 NIST
I 1565.00 NIST
I 1527.00 NIST
I 1576.00 NIST
I 1562.00 NIST
I Outlier 1521.00 NIST
I 1570.00 NIST
I 1570.00 NIST
I 1575.00 NIST
I 1585.00 NIST
I 1590.00 NIST
I 1608.00 NIST
I Outlier 1609.00 NIST
I Outlier 1610.00 NIST
I 1595.00 NIST
I 1566.00 NIST
I 1575.00 NIST
I 1539.00 NIST
I 1539.00 NIST
I 1539.00 NIST
I 1570.00 NIST
I 1550.00 NIST
I 1550.00 NIST
I 1550.00 NIST
I 1549.00 NIST
I 1563.00 NIST
I 1570.00 NIST
I 1573.00 NIST
I 1573.00 NIST
I 1573.00 NIST
I 1569.00 NIST
I 1573.00 NIST
I 1565.00 NIST
I 1563.00 NIST
I 1578.00 NIST
I 1549.00 NIST
I 1573.00 NIST
I 1578.00 NIST
I 1569.00 NIST
I 1562.00 NIST
I Outlier 1521.00 NIST
I 1585.00 NIST
I 1595.00 NIST
I 1539.00 NIST
Tboil 444.63 K Joback Calculated Property
Tc 637.71 K Joback Calculated Property
Tfus 219.69 K Joback Calculated Property
Vc 0.450 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [223.73; 285.54] J/mol×K [444.63; 637.71] Show Hide
Cp,gas 223.73 J/mol×K 444.63 Joback Calculated Property
Cp,gas 235.56 J/mol×K 476.81 Joback Calculated Property
Cp,gas 246.73 J/mol×K 508.99 Joback Calculated Property
Cp,gas 257.29 J/mol×K 541.17 Joback Calculated Property
Cp,gas 267.25 J/mol×K 573.35 Joback Calculated Property
Cp,gas 276.65 J/mol×K 605.53 Joback Calculated Property
Cp,gas 285.54 J/mol×K 637.71 Joback Calculated Property
η [0.0002043; 0.0037387] Pa×s [219.69; 444.63] Show Hide
η 0.0037387 Pa×s 219.69 Joback Calculated Property
η 0.0016178 Pa×s 257.18 Joback Calculated Property
η 0.0008664 Pa×s 294.67 Joback Calculated Property
η 0.0005342 Pa×s 332.16 Joback Calculated Property
η 0.0003633 Pa×s 369.65 Joback Calculated Property
η 0.0002653 Pa×s 407.14 Joback Calculated Property
η 0.0002043 Pa×s 444.63 Joback Calculated Property

Similar Compounds

(E,E)-3,5-Octadien-2-one. (Z,E)-3,5-octadien-2-one. 3,5-Octadien-2-one, isomer # 1. 3,5-Octadien-2-one. 3,5-Octadien-2-one, isomer # 2. (Z,Z)-octa-3,5-dien-2-one. (E,Z)-3,5-Octadien-2-one. 3,5-Octadien-2-one, #2. 2,4-Heptadienal. (E,Z)-2,4-heptadienal. (E,Z)-2,4-Heptadienal. (Z,E)-2,4-heptadien-1-al. 2,4-Heptadienal, (E,E)-. (Z,Z)-2,4-Heptadienal. 3,5-Heptadien-2-one.

Find more compounds similar to 3,5-Octadien-2-one, (E,E)-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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