Chemical Properties of 3-Hexenyl isobutyrate (CAS 57859-47-9)

3-Hexenyl isobutyrate

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InChI
InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+
InChI Key
OSMAJVWUIUORGC-AATRIKPKSA-N
Formula
C10H18O2
SMILES
CCC=CCCOC(=O)C(C)C
Molecular Weight1
170.25
CAS
57859-47-9
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Physical Properties

Property Value Unit Source
Δf -122.82 kJ/mol Joback Calculated Property
Δfgas -382.59 kJ/mol Joback Calculated Property
Δfus 21.12 kJ/mol Joback Calculated Property
Δvap 46.58 kJ/mol Joback Calculated Property
log10WS -2.48 Crippen Calculated Property
logPoct/wat 2.542 Crippen Calculated Property
McVol 154.900 ml/mol McGowan Calculated Property
Pc 2329.27 kPa Joback Calculated Property
I [1504.00; 1504.00]   Show Hide
I 1504.00 NIST
I 1504.00 NIST
Tboil 508.21 K Joback Calculated Property
Tc 691.70 K Joback Calculated Property
Tfus 254.54 K Joback Calculated Property
Vc 0.594 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [350.97; 427.02] J/mol×K [508.21; 691.70] Show Hide
Cp,gas 350.97 J/mol×K 508.21 Joback Calculated Property
Cp,gas 365.14 J/mol×K 538.79 Joback Calculated Property
Cp,gas 378.69 J/mol×K 569.37 Joback Calculated Property
Cp,gas 391.64 J/mol×K 599.96 Joback Calculated Property
Cp,gas 404.00 J/mol×K 630.54 Joback Calculated Property
Cp,gas 415.79 J/mol×K 661.12 Joback Calculated Property
Cp,gas 427.02 J/mol×K 691.70 Joback Calculated Property
η [0.0001776; 0.0043796] Pa×s [254.54; 508.21] Show Hide
η 0.0043796 Pa×s 254.54 Joback Calculated Property
η 0.0017548 Pa×s 296.82 Joback Calculated Property
η 0.0008832 Pa×s 339.10 Joback Calculated Property
η 0.0005176 Pa×s 381.38 Joback Calculated Property
η 0.0003375 Pa×s 423.65 Joback Calculated Property
η 0.0002378 Pa×s 465.93 Joback Calculated Property
η 0.0001776 Pa×s 508.21 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [368.99; 510.11] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.57305e+01
Coefficient B-4.51965e+03
Coefficient C-7.63250e+01
Temperature range, min.368.99
Temperature range, max.510.11
Pvap 1.33 kPa 368.99 Calculated Property
Pvap 2.92 kPa 384.67 Calculated Property
Pvap 5.94 kPa 400.35 Calculated Property
Pvap 11.31 kPa 416.03 Calculated Property
Pvap 20.35 kPa 431.71 Calculated Property
Pvap 34.82 kPa 447.39 Calculated Property
Pvap 57.06 kPa 463.07 Calculated Property
Pvap 89.97 kPa 478.75 Calculated Property
Pvap 137.09 kPa 494.43 Calculated Property
Pvap 202.64 kPa 510.11 Calculated Property

Similar Compounds

cis-3-Hexenyl iso-butyrate. Propanoic acid, (E)-3-hexenyl ester. 3-Hexen-1-ol, propanoate, (Z)-. hex-3-enyl propanoate. 3E-hexenyl-d2 proprionate. 3Z-hexenyl-d2 proprionate. (Z)-3-hexenyl-2-methylbutanoate. cis-3-Hexenyl-«alpha»-methylbutyrate. d2-3Z-hexenyl 2-methylbutanoate. Hex-3-enyl 2-methylbutanoate. d3-2E-hexenyl 2-methylbutanoate. trans-3-Heptenyl propionate. cis-3-Heptenyl propionate. Succinic acid, isobutyl trans-hex-3-enyl ester. Succinic acid, cis-hex-3-enyl isobutyl ester.

Find more compounds similar to 3-Hexenyl isobutyrate.

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