Chemical Properties of 3-Hexanol (CAS 623-37-0)

3-Hexanol

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InChI
InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3
InChI Key
ZOCHHNOQQHDWHG-UHFFFAOYSA-N
Formula
C6H14O
SMILES
CCCC(O)CC
Molecular Weight1
102.17
CAS
623-37-0
Other Names
  • 3-hydroxyhexane
  • C2H5CH(OH)C3H7
  • Ethylpropylcarbinol
  • Hexan-3-ol
  • Hexanol-(3)
  • ethyl propyl carbinol

Physical Properties

Property Value Unit Source
Δf -139.62 kJ/mol Joback Calculated Property
Δfgas -332.80 ± 2.20 kJ/mol NIST
Δfliquid -390.30 ± 0.88 kJ/mol NIST
Δfus 11.86 kJ/mol Joback Calculated Property
Δvap 58.60 ± 0.40 kJ/mol NIST
IE [9.63; 10.15] eV Show Hide
IE 9.63 ± 0.03 eV NIST
IE 10.15 eV NIST
log10WS [-0.80; -0.80]   Show Hide
log10WS -0.80 Aq. Sol...
log10WS -0.80 Estimat...
logPoct/wat 1.557 Crippen Calculated Property
McVol 101.270 ml/mol McGowan Calculated Property
Pc [3360.00; 3360.00] kPa Show Hide
Pc 3360.00 ± 20.00 kPa NIST
Pc 3360.00 ± 50.00 kPa NIST
ρc [266.68; 266.68] kg/m3 Show Hide
ρc 266.68 ± 2.04 kg/m3 NIST
ρc 266.68 ± 6.13 kg/m3 NIST
Inp [761.00; 815.00]   Show Hide
Inp 780.20 NIST
Inp 774.80 NIST
Inp 778.50 NIST
Inp 782.60 NIST
Inp 783.80 NIST
Inp 769.00 NIST
Inp 779.00 NIST
Inp 785.00 NIST
Inp 783.00 NIST
Inp 781.00 NIST
Inp Outlier 761.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 783.00 NIST
Inp 785.00 NIST
Inp 801.30 NIST
Inp 802.00 NIST
Inp 797.00 NIST
Inp 785.00 NIST
Inp 797.00 NIST
Inp Outlier 811.00 NIST
Inp 806.00 NIST
Inp 776.00 NIST
Inp 776.00 NIST
Inp 784.00 NIST
Inp 784.00 NIST
Inp 791.00 NIST
Inp 788.00 NIST
Inp 780.00 NIST
Inp 785.00 NIST
Inp 785.00 NIST
Inp 793.00 NIST
Inp 780.00 NIST
Inp 762.00 NIST
Inp 780.00 NIST
Inp 769.00 NIST
Inp 790.00 NIST
Inp 776.00 NIST
Inp 795.00 NIST
Inp Outlier 815.00 NIST
Inp 801.30 NIST
Inp 784.00 NIST
Inp 785.00 NIST
Inp 780.20 NIST
Inp 769.00 NIST
Inp Outlier 761.00 NIST
Inp 797.00 NIST
I [1180.00; 1222.00]   Show Hide
I 1206.00 NIST
I 1207.00 NIST
I 1189.00 NIST
I 1184.00 NIST
I 1180.00 NIST
I 1193.00 NIST
I 1197.00 NIST
I Outlier 1222.00 NIST
I 1198.00 NIST
I 1211.00 NIST
I 1207.00 NIST
I 1204.00 NIST
I 1211.00 NIST
I 1211.00 NIST
I 1190.00 NIST
I 1192.00 NIST
I 1189.00 NIST
I 1200.00 NIST
I 1202.00 NIST
I 1194.00 NIST
I 1207.00 NIST
I 1185.00 NIST
I 1197.00 NIST
I 1190.00 NIST
I 1192.00 NIST
I 1207.00 NIST
I 1190.00 NIST
I Outlier 1222.00 NIST
Tboil [388.55; 409.00] K Show Hide
Tboil 408.20 K NIST
Tboil 406.15 ± 2.00 K NIST
Tboil 407.40 ± 1.50 K NIST
Tboil 406.65 ± 2.00 K NIST
Tboil 408.15 ± 2.00 K NIST
Tboil 408.75 ± 0.50 K NIST
Tboil 408.15 ± 2.00 K NIST
Tboil 408.65 ± 1.00 K NIST
Tboil 406.65 ± 2.00 K NIST
Tboil 406.15 ± 2.00 K NIST
Tboil 408.65 ± 2.00 K NIST
Tboil 409.00 ± 3.00 K NIST
Tboil 407.90 ± 1.00 K NIST
Tboil 408.67 ± 0.20 K NIST
Tboil 406.65 ± 2.00 K NIST
Tboil 408.00 ± 6.00 K NIST
Tboil 407.15 ± 2.00 K NIST
Tboil 407.15 ± 2.00 K NIST
Tboil Outlier 388.55 ± 0.40 K NIST
Tboil 404.15 ± 3.00 K NIST
Tboil 406.15 ± 2.00 K NIST
Tboil 407.15 ± 2.00 K NIST
Tboil 408.15 ± 2.00 K NIST
Tc [582.20; 582.58] K Show Hide
Tc 582.40 ± 0.50 K NIST
Tc 582.20 ± 0.80 K NIST
Tc 582.58 K NIST
Tc 582.48 ± 0.30 K NIST
Tfus 203.20 K Joback Calculated Property
Vc 0.383 m3/kmol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [207.74; 261.25] J/mol×K [428.42; 592.97] Show Hide
Cp,gas 207.74 J/mol×K 428.42 Joback Calculated Property
Cp,gas 217.54 J/mol×K 455.85 Joback Calculated Property
Cp,gas 226.97 J/mol×K 483.27 Joback Calculated Property
Cp,gas 236.05 J/mol×K 510.70 Joback Calculated Property
Cp,gas 244.78 J/mol×K 538.12 Joback Calculated Property
Cp,gas 253.18 J/mol×K 565.55 Joback Calculated Property
Cp,gas 261.25 J/mol×K 592.97 Joback Calculated Property
Cp,liquid [269.27; 286.20] J/mol×K [298.00; 298.15] Show Hide
Cp,liquid 286.20 J/mol×K 298.00 NIST
Cp,liquid 269.27 J/mol×K 298.15 NIST
η [0.0015800; 0.0035200] Pa×s [303.15; 323.15] Show Hide
η 0.0035200 Pa×s 303.15 Density...
η 0.0023400 Pa×s 313.15 Density...
η 0.0015800 Pa×s 323.15 Density...
ΔvapH [46.10; 57.50] kJ/mol [298.00; 382.00] Show Hide
ΔvapH 57.40 kJ/mol 298.00 NIST
ΔvapH 57.50 kJ/mol 300.00 NIST
ΔvapH 46.40 kJ/mol 353.00 NIST
ΔvapH 51.50 kJ/mol 371.00 NIST
ΔvapH 46.10 kJ/mol 382.00 NIST
Pvap [0.08; 1.36] kPa [280.21; 316.48] Show Hide
Pvap 0.08 kPa 280.21 Vapor P...
Pvap 0.09 kPa 280.41 Vapor P...
Pvap 0.11 kPa 283.54 Vapor P...
Pvap 0.12 kPa 284.32 Vapor P...
Pvap 0.17 kPa 288.55 Vapor P...
Pvap 0.25 kPa 293.36 Vapor P...
Pvap 0.26 kPa 293.48 Vapor P...
Pvap 0.35 kPa 297.37 Vapor P...
Pvap 0.37 kPa 298.18 Vapor P...
Pvap 0.41 kPa 299.62 Vapor P...
Pvap 0.55 kPa 303.49 Vapor P...
Pvap 0.69 kPa 306.58 Vapor P...
Pvap 0.75 kPa 307.60 Vapor P...
Pvap 0.92 kPa 310.61 Vapor P...
Pvap 1.00 kPa 311.78 Vapor P...
Pvap 1.14 kPa 313.79 Vapor P...
Pvap 1.36 kPa 316.48 Vapor P...
ρl [792.80; 810.20] kg/m3 [303.15; 323.15] Show Hide
ρl 810.20 kg/m3 303.15 Density...
ρl 801.70 kg/m3 313.15 Density...
ρl 792.80 kg/m3 323.15 Density...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [308.83; 430.69] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.52054e+01
Coefficient B-3.58018e+03
Coefficient C-6.88330e+01
Temperature range, min.308.83
Temperature range, max.430.69
Pvap 1.33 kPa 308.83 Calculated Property
Pvap 2.96 kPa 322.37 Calculated Property
Pvap 6.05 kPa 335.91 Calculated Property
Pvap 11.56 kPa 349.45 Calculated Property
Pvap 20.79 kPa 362.99 Calculated Property
Pvap 35.52 kPa 376.53 Calculated Property
Pvap 58.00 kPa 390.07 Calculated Property
Pvap 91.03 kPa 403.61 Calculated Property
Pvap 137.94 kPa 417.15 Calculated Property
Pvap 202.64 kPa 430.69 Calculated Property

Similar Compounds

4-Heptanol. 3-Heptanol. 4-Octanol. (S)-4-octanol. 5-Nonanol. 3-Octanol. (±)-octan-3-ol. 3-Tridecanol. Undecanol-3. 3-Heptadecanol. 3-Decanol. 3-Pentadecanol. 3-Nonanol. (S)-decan-3-ol. 3-Tetradecanol.

Find more compounds similar to 3-Hexanol.

Mixtures

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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