Chemical Properties of 1,3-Hexanediol (CAS 21531-91-9)

1,3-Hexanediol

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InChI
InChI=1S/C6H14O2/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
InChI Key
AVIYEYCFMVPYST-UHFFFAOYSA-N
Formula
C6H14O2
SMILES
CCCC(O)CCO
Molecular Weight1
118.17
CAS
21531-91-9

Physical Properties

Property Value Unit Source
Δf -276.44 kJ/mol Joback Calculated Property
Δfgas -476.91 kJ/mol Joback Calculated Property
Δfus 15.95 kJ/mol Joback Calculated Property
Δvap 61.92 kJ/mol Joback Calculated Property
log10WS -0.97 Crippen Calculated Property
logPoct/wat 0.530 Crippen Calculated Property
McVol 107.140 ml/mol McGowan Calculated Property
Pc 3896.50 kPa Joback Calculated Property
Inp [892.00; 892.00]   Show Hide
Inp 892.00 NIST
Inp 892.00 NIST
Tboil 520.60 K Joback Calculated Property
Tc 680.76 K Joback Calculated Property
Tfus 264.02 K Joback Calculated Property
Vc 0.404 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [255.37; 302.40] J/mol×K [520.60; 680.76] Show Hide
Cp,gas 255.37 J/mol×K 520.60 Joback Calculated Property
Cp,gas 264.02 J/mol×K 547.29 Joback Calculated Property
Cp,gas 272.33 J/mol×K 573.99 Joback Calculated Property
Cp,gas 280.32 J/mol×K 600.68 Joback Calculated Property
Cp,gas 287.99 J/mol×K 627.37 Joback Calculated Property
Cp,gas 295.34 J/mol×K 654.07 Joback Calculated Property
Cp,gas 302.40 J/mol×K 680.76 Joback Calculated Property
η [0.0000740; 0.2498961] Pa×s [264.02; 520.60] Show Hide
η 0.2498961 Pa×s 264.02 Joback Calculated Property
η 0.0251069 Pa×s 306.78 Joback Calculated Property
η 0.0044260 Pa×s 349.55 Joback Calculated Property
η 0.0011391 Pa×s 392.31 Joback Calculated Property
η 0.0003828 Pa×s 435.07 Joback Calculated Property
η 0.0001564 Pa×s 477.84 Joback Calculated Property
η 0.0000740 Pa×s 520.60 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [393.52; 517.53] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.79147e+01
Coefficient B-5.48388e+03
Coefficient C-8.24160e+01
Temperature range, min.393.52
Temperature range, max.517.53
Pvap 1.33 kPa 393.52 Calculated Property
Pvap 2.82 kPa 407.30 Calculated Property
Pvap 5.60 kPa 421.08 Calculated Property
Pvap 10.54 kPa 434.86 Calculated Property
Pvap 18.92 kPa 448.64 Calculated Property
Pvap 32.57 kPa 462.41 Calculated Property
Pvap 53.97 kPa 476.19 Calculated Property
Pvap 86.42 kPa 489.97 Calculated Property
Pvap 134.19 kPa 503.75 Calculated Property
Pvap 202.64 kPa 517.53 Calculated Property

Similar Compounds

1,3-Octanediol. 15,16-Dihydroxy triacontane. 2,4-Heptanediol. 1,3-Pentanediol. 1,3-Cyclohexanediol, trans-. 1,3-Cyclohexanediol. 1,3-Cyclohexanediol, cis-. 1,3,5-Pentanetriol. 4-Nonanol, (S)-. 4-Nonanol. 4-Hexadecanol. Undecanol-4. 4-Tetradecanol. 4-Tridecanol. 4-Decanol.

Find more compounds similar to 1,3-Hexanediol.

Sources

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