Chemical Properties of Hexanoic acid, 3-hexenyl ester, (Z)- (CAS 31501-11-8)

Hexanoic acid, 3-hexenyl ester, (Z)-

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InChI
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h5,7H,3-4,6,8-11H2,1-2H3/b7-5-
InChI Key
RGACQXBDYBCJCY-ALCCZGGFSA-N
Formula
C12H22O2
SMILES
CCC=CCCOC(=O)CCCCC
Molecular Weight1
198.30
CAS
31501-11-8
Other Names
  • (3Z)-3-Hexenyl hexanoate
  • (Z)-3-Hexen-1-ol, hexanoate
  • (Z)-3-Hexenyl hexanoate
  • (Z)-hex-3-enyl hexanoate
  • 3-Hexen-1-ol hexanoate, cis
  • 3-Hexen-1-ol, hexanoate, (Z)-
  • 3-Hexenyl hexanoate, (Z)-
  • Hexanoic acid, (3Z)-3-hexen-1-yl ester
  • Hexanoic acid, (3Z)-3-hexenyl ester
  • cis-3-Hexenyl caproate
  • cis-3-Hexenyl hexanoate
  • cis-3-Hexenyl hexoate
  • cis-3-Hexenyl n-hexanoate
  • cis-Hexanoic acid, 3-hexenyl ester
  • n-Caproic acid cis-3-hexenyl ester
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Physical Properties

Property Value Unit Source
Δf -103.54 kJ/mol Joback Calculated Property
Δfgas -418.59 kJ/mol Joback Calculated Property
Δfus 29.82 kJ/mol Joback Calculated Property
Δvap 51.42 kJ/mol Joback Calculated Property
log10WS -3.56 Crippen Calculated Property
logPoct/wat 3.466 Crippen Calculated Property
McVol 183.080 ml/mol McGowan Calculated Property
Pc 1937.24 kPa Joback Calculated Property
Inp [1333.00; 1386.00]   Show Hide
Inp Outlier 1333.00 NIST
Inp 1364.00 NIST
Inp 1370.00 NIST
Inp 1365.00 NIST
Inp 1364.00 NIST
Inp 1364.00 NIST
Inp 1362.00 NIST
Inp 1380.00 NIST
Inp 1379.00 NIST
Inp 1355.00 NIST
Inp 1382.00 NIST
Inp 1386.00 NIST
Inp 1362.00 NIST
Inp 1369.00 NIST
Inp 1376.00 NIST
Inp 1370.00 NIST
Inp 1381.00 NIST
Inp 1375.00 NIST
Inp 1360.00 NIST
Inp 1360.00 NIST
Inp 1360.00 NIST
Inp Outlier 1333.00 NIST
I [1625.00; 1665.00]   Show Hide
I 1631.00 NIST
I 1638.00 NIST
I 1642.00 NIST
I 1645.00 NIST
I 1642.00 NIST
I 1643.00 NIST
I 1665.00 NIST
I 1646.00 NIST
I 1648.00 NIST
I 1626.00 NIST
I 1635.00 NIST
I 1626.00 NIST
I 1625.00 NIST
I 1625.00 NIST
I 1651.00 NIST
I 1662.00 NIST
I 1662.00 NIST
I 1654.00 NIST
I 1662.00 NIST
I 1647.00 NIST
I 1647.00 NIST
I 1662.00 NIST
I 1647.00 NIST
Tboil 554.41 K Joback Calculated Property
Tc 730.90 K Joback Calculated Property
Tfus 292.08 K Joback Calculated Property
Vc 0.712 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [445.74; 528.11] J/mol×K [554.41; 730.90] Show Hide
Cp,gas 445.74 J/mol×K 554.41 Joback Calculated Property
Cp,gas 461.06 J/mol×K 583.82 Joback Calculated Property
Cp,gas 475.72 J/mol×K 613.24 Joback Calculated Property
Cp,gas 489.74 J/mol×K 642.65 Joback Calculated Property
Cp,gas 503.13 J/mol×K 672.07 Joback Calculated Property
Cp,gas 515.92 J/mol×K 701.48 Joback Calculated Property
Cp,gas 528.11 J/mol×K 730.90 Joback Calculated Property
η [0.0001595; 0.0028734] Pa×s [292.08; 554.41] Show Hide
η 0.0028734 Pa×s 292.08 Joback Calculated Property
η 0.0012967 Pa×s 335.80 Joback Calculated Property
η 0.0007029 Pa×s 379.52 Joback Calculated Property
η 0.0004324 Pa×s 423.25 Joback Calculated Property
η 0.0002914 Pa×s 466.97 Joback Calculated Property
η 0.0002101 Pa×s 510.69 Joback Calculated Property
η 0.0001595 Pa×s 554.41 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [386.85; 551.31] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.46081e+01
Coefficient B-4.35803e+03
Coefficient C-8.25320e+01
Temperature range, min.386.85
Temperature range, max.551.31
Pvap 1.33 kPa 386.85 Calculated Property
Pvap 3.00 kPa 405.12 Calculated Property
Pvap 6.19 kPa 423.40 Calculated Property
Pvap 11.86 kPa 441.67 Calculated Property
Pvap 21.35 kPa 459.94 Calculated Property
Pvap 36.39 kPa 478.22 Calculated Property
Pvap 59.17 kPa 496.49 Calculated Property
Pvap 92.34 kPa 514.76 Calculated Property
Pvap 138.99 kPa 533.04 Calculated Property
Pvap 202.65 kPa 551.31 Calculated Property

Similar Compounds

3Z-hexenyl-d3 hexanoate-d3. (E)-3-hexenyl hexanoate. Hexanoic acid, 3-hexenyl ester. 3E-hexenyl-d3 hexanoate. 3E-hexenyl-d3 hexanoate-d3. 3Z-hexenyl-d3 hexanoate. (E)-3-Hexenyl nonanoate. Heptanoic acid, 3-hexenyl ester, (Z)-. (Z)-3-Hexenyl nonanoate. Octanoic acid, 3-hexenyl ester, (Z)-. Decanoic acid, 3-hexenyl ester, (Z)-. (Z)-3-hexenyl undecanoate. Adipic acid, di(trans-hex-3-enyl) ester. Adipic acid, di(cis-hex-3-enyl) ester. Sebacic acid, di(cis-3-hexenyl) ester.

Find more compounds similar to Hexanoic acid, 3-hexenyl ester, (Z)-.

Sources

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