Chemical Properties of Butanoic acid, 3-hexenyl ester, (E)- (CAS 53398-84-8)

Butanoic acid, 3-hexenyl ester, (E)-

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InChI
InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5+
InChI Key
ZCHOPXVYTWUHDS-AATRIKPKSA-N
Formula
C10H18O2
SMILES
CCC=CCCOC(=O)CCC
Molecular Weight1
170.25
CAS
53398-84-8
Other Names
  • trans-3-Hexenyl butyrate
  • 3-Hexenyl butyrate (E)
  • (3E)-3-Hexenyl butyrate
  • Butanoic acid, (E)-3-hexenyl ester
  • (E)-3-Hexen-1-ol, butanoate
  • (E)-3-Hexenyl butanoate
  • (E)-3-Hexenyl butyrate
  • E-Hex-3-en-1-yl butyrate
  • (E)-Hex-3-enyl n-butyrate
  • (E)-hex-3-enyl butyrate
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Physical Properties

Property Value Unit Source
Δf -120.38 kJ/mol Joback Calculated Property
Δfgas -377.31 kJ/mol Joback Calculated Property
Δfus 24.64 kJ/mol Joback Calculated Property
Δvap 46.97 kJ/mol Joback Calculated Property
log10WS -2.72 Crippen Calculated Property
logPoct/wat 2.686 Crippen Calculated Property
McVol 154.900 ml/mol McGowan Calculated Property
Pc 2311.39 kPa Joback Calculated Property
Inp [1146.00; 1185.90]   Show Hide
Inp 1169.00 NIST
Inp 1148.00 NIST
Inp 1166.00 NIST
Inp 1171.00 NIST
Inp 1146.00 NIST
Inp 1163.00 NIST
Inp 1185.90 NIST
Inp 1185.00 NIST
Inp 1166.00 NIST
I [1431.00; 1467.00]   Show Hide
I 1452.00 NIST
I 1457.00 NIST
I 1467.00 NIST
I 1466.00 NIST
I 1454.00 NIST
I 1452.00 NIST
I Outlier 1431.00 NIST
I 1467.00 NIST
I 1452.00 NIST
Tboil 508.65 K Joback Calculated Property
Tc 688.43 K Joback Calculated Property
Tfus 269.54 K Joback Calculated Property
Vc 0.600 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [350.74; 425.13] J/mol×K [508.65; 688.43] Show Hide
Cp,gas 350.74 J/mol×K 508.65 Joback Calculated Property
Cp,gas 364.56 J/mol×K 538.61 Joback Calculated Property
Cp,gas 377.79 J/mol×K 568.58 Joback Calculated Property
Cp,gas 390.44 J/mol×K 598.54 Joback Calculated Property
Cp,gas 402.54 J/mol×K 628.50 Joback Calculated Property
Cp,gas 414.10 J/mol×K 658.47 Joback Calculated Property
Cp,gas 425.13 J/mol×K 688.43 Joback Calculated Property
η [0.0001880; 0.0030444] Pa×s [269.54; 508.65] Show Hide
η 0.0030444 Pa×s 269.54 Joback Calculated Property
η 0.0014196 Pa×s 309.39 Joback Calculated Property
η 0.0007878 Pa×s 349.24 Joback Calculated Property
η 0.0004933 Pa×s 389.10 Joback Calculated Property
η 0.0003369 Pa×s 428.95 Joback Calculated Property
η 0.0002455 Pa×s 468.80 Joback Calculated Property
η 0.0001880 Pa×s 508.65 Joback Calculated Property

Similar Compounds

Butanoic acid, 3-hexenyl ester, (Z)-. 3-Hexen-1-ol, butanoate. 3Z-hexenyl-d3 butanoate-d3. 3E-hexenyl-d3 butanoate-d3. 3Z-hexenyl-d3 butanoate. 3E-hexenyl-d3 butanoate. trans-3-Heptenyl butanoate. cis-3-Heptenyl butyrate. Glutaric acid, di(cis-hex-3-enyl) ester. Glutaric acid, di(trans-hex-3-enyl) ester. Glutaric acid, ethyl trans-hex-3-enyl ester. Glutaric acid, cis-hex-3-enyl ethyl ester. Glutaric acid, cis-hex-3-enyl propyl ester. Glutaric acid, propyl trans-hex-3-enyl ester. (E)-3-Hexen-1-ol, pentanoate.

Find more compounds similar to Butanoic acid, 3-hexenyl ester, (E)-.

Sources

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