Chemical Properties of 1-Pentanol, 3-methyl- (CAS 589-35-5)

1-Pentanol, 3-methyl-

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InChI
InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChI Key
IWTBVKIGCDZRPL-UHFFFAOYSA-N
Formula
C6H14O
SMILES
CCC(C)CCO
Molecular Weight1
102.17
CAS
589-35-5
Other Names
  • 2-Ethyl-4-butanol
  • 3-Ethyl-1-butanol
  • 3-Methyl-1-pentanol
  • 3-Methylpentan-1-ol
  • 3-Methylpentanol
  • 3-methylpentyl alcohol
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Physical Properties

Property Value Unit Source
Δf -139.62 kJ/mol Joback Calculated Property
Δfgas -324.68 kJ/mol Joback Calculated Property
Δfus 11.86 kJ/mol Joback Calculated Property
Δvap 61.70 ± 0.30 kJ/mol NIST
log10WS -1.36 Crippen Calculated Property
logPoct/wat 1.415 Crippen Calculated Property
McVol 101.270 ml/mol McGowan Calculated Property
Pc 3484.76 kPa Joback Calculated Property
Inp [807.00; 858.00]   Show Hide
Inp 854.40 NIST
Inp 855.20 NIST
Inp Outlier 807.00 NIST
Inp 818.00 NIST
Inp 843.00 NIST
Inp 826.00 NIST
Inp 848.00 NIST
Inp 833.00 NIST
Inp 850.00 NIST
Inp 854.50 NIST
Inp 812.00 NIST
Inp 852.00 NIST
Inp 825.00 NIST
Inp 850.00 NIST
Inp 833.00 NIST
Inp 858.00 NIST
Inp 829.00 NIST
Inp 852.00 NIST
Inp 829.00 NIST
Inp 825.00 NIST
Inp 852.00 NIST
Inp 829.00 NIST
Inp 829.00 NIST
Inp 848.00 NIST
I [1297.00; 1353.00]   Show Hide
I 1344.00 NIST
I 1344.00 NIST
I 1334.00 NIST
I 1334.00 NIST
I 1331.00 NIST
I 1334.00 NIST
I 1328.00 NIST
I 1323.00 NIST
I 1325.00 NIST
I 1313.00 NIST
I 1313.00 NIST
I 1314.00 NIST
I 1313.00 NIST
I 1341.00 NIST
I 1322.00 NIST
I 1332.00 NIST
I 1318.00 NIST
I 1309.00 NIST
I 1325.00 NIST
I 1314.00 NIST
I 1338.00 NIST
I Outlier 1297.00 NIST
I 1327.00 NIST
I 1341.00 NIST
I 1320.00 NIST
I 1343.00 NIST
I Outlier 1353.00 NIST
I 1330.00 NIST
I 1323.00 NIST
I 1343.00 NIST
I 1329.00 NIST
I 1323.00 NIST
I 1345.00 NIST
Tboil [404.50; 428.15] K Show Hide
Tboil 424.70 K NIST
Tboil 424.50 ± 0.50 K NIST
Tboil 425.65 ± 2.00 K NIST
Tboil 426.15 ± 1.00 K NIST
Tboil 425.15 ± 2.00 K NIST
Tboil 424.75 ± 2.00 K NIST
Tboil 425.55 ± 1.00 K NIST
Tboil 428.15 ± 2.00 K NIST
Tboil 425.59 ± 0.20 K NIST
Tboil 425.65 ± 3.00 K NIST
Tboil 424.65 ± 2.00 K NIST
Tboil Outlier 404.50 ± 0.50 K NIST
Tboil 427.05 ± 0.50 K NIST
Tboil 426.15 ± 2.00 K NIST
Tboil 425.65 ± 3.00 K NIST
Tc 592.97 K Joback Calculated Property
Tfus 203.20 K Joback Calculated Property
Vc 0.385 m3/kmol Joback Calculated Property

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
η [0.0002400; 0.2179366] Pa×s [203.20; 428.42] Show Hide
η 0.2179366 Pa×s 203.20 Joback Calculated Property
η 0.0289027 Pa×s 240.74 Joback Calculated Property
η 0.0066108 Pa×s 278.27 Joback Calculated Property
η 0.0021472 Pa×s 315.81 Joback Calculated Property
η 0.0008856 Pa×s 353.35 Joback Calculated Property
η 0.0004330 Pa×s 390.88 Joback Calculated Property
η 0.0002400 Pa×s 428.42 Joback Calculated Property
ΔvapH [47.20; 59.70] kJ/mol [360.50; 377.50] Show Hide
ΔvapH 47.20 kJ/mol 360.50 NIST
ΔvapH 59.70 kJ/mol 362.50 NIST
ΔvapH 54.80 kJ/mol 377.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [329.02; 449.93] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45819e+01
Coefficient B-3.18931e+03
Coefficient C-1.05903e+02
Temperature range, min.329.02
Temperature range, max.449.93
Pvap 1.33 kPa 329.02 Calculated Property
Pvap 3.00 kPa 342.45 Calculated Property
Pvap 6.20 kPa 355.89 Calculated Property
Pvap 11.88 kPa 369.32 Calculated Property
Pvap 21.37 kPa 382.76 Calculated Property
Pvap 36.42 kPa 396.19 Calculated Property
Pvap 59.22 kPa 409.63 Calculated Property
Pvap 92.39 kPa 423.06 Calculated Property
Pvap 139.02 kPa 436.50 Calculated Property
Pvap 202.63 kPa 449.93 Calculated Property

Similar Compounds

(S)-(+)-3-Methyl-1-pentanol. 1-Pentanol, 3-methyl-, (.+/-.)-. 1,5-Pentanediol, 3-methyl-. 1-Pentanol, 3,4-dimethyl-. 1-Hexanol, 3-methyl-. 3-Ethyl-4-methylpentan-1-ol. (S)-3-Ethyl-4-methylpentanol. 1-Heptanol, 3-methyl-. 3-Methylundecanol. 3-Methyltetradecanol. 3-Methyloctanol. 3-Methyldodecanol. 1-Octanol, 3,7-dimethyl-. 1-Octanol, 3,7-dimethyl-, (S)-. 1-Hexadecanol, 3,7,11,15-tetramethyl-.

Find more compounds similar to 1-Pentanol, 3-methyl-.

Mixtures

Sources

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