Chemical Properties of 1-Pentanol, 4-methyl- (CAS 626-89-1)

1-Pentanol, 4-methyl-

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InChI
InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
InChI Key
PCWGTDULNUVNBN-UHFFFAOYSA-N
Formula
C6H14O
SMILES
CC(C)CCCO
Molecular Weight1
102.17
CAS
626-89-1
Other Names
  • 2-Methyl-5-pentanol
  • 4-Methyl-1-pentanol
  • 4-Methylpentan-1-ol
  • 4-Methylpentanol
  • Isohexanol
  • Isohexyl alcohol
  • Pentanol, 4-methyl-

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 60.47 kJ/mol NIST
log10WS [-1.14; -1.14]   Show Hide
log10WS -1.14 Aq. Sol...
log10WS -1.14 Estimat...
logPoct/wat 1.415 Crippen Calculated Property
McVol 101.270 ml/mol McGowan Calculated Property
Pc 3484.76 kPa Joback Calculated Property
Inp [821.00; 875.00]   Show Hide
Inp 851.00 NIST
Inp 852.60 NIST
Inp 827.00 NIST
Inp 823.00 NIST
Inp 821.00 NIST
Inp Outlier 875.00 NIST
Inp 839.00 NIST
Inp 840.00 NIST
Inp 866.00 NIST
Inp 868.00 NIST
Inp 827.00 NIST
Inp 836.00 NIST
Inp 838.00 NIST
Inp 838.00 NIST
Inp 860.00 NIST
Inp 839.00 NIST
Inp 846.20 NIST
Inp 838.00 NIST
Inp 847.00 NIST
Inp 851.00 NIST
Inp 866.00 NIST
Inp 838.00 NIST
Inp 837.00 NIST
Inp 827.00 NIST
Inp 821.00 NIST
Inp 827.00 NIST
Inp 845.00 NIST
Inp 827.00 NIST
Inp 838.00 NIST
Inp 821.00 NIST
Inp 833.00 NIST
Inp 821.00 NIST
Inp Outlier 875.00 NIST
Inp 851.00 NIST
Inp 836.00 NIST
Inp 846.20 NIST
Inp 827.00 NIST
Inp 866.00 NIST
I [1282.00; 1347.00]   Show Hide
I 1338.00 NIST
I 1338.00 NIST
I 1300.00 NIST
I 1318.00 NIST
I 1320.00 NIST
I 1299.00 NIST
I 1312.00 NIST
I 1299.00 NIST
I 1311.00 NIST
I 1301.00 NIST
I 1301.00 NIST
I 1302.00 NIST
I 1301.00 NIST
I 1328.00 NIST
I Outlier 1347.00 NIST
I 1310.00 NIST
I 1309.00 NIST
I 1319.00 NIST
I 1314.00 NIST
I 1317.00 NIST
I 1316.00 NIST
I 1324.00 NIST
I 1298.00 NIST
I Outlier 1282.00 NIST
I 1328.00 NIST
I 1325.00 NIST
I 1322.00 NIST
I 1329.00 NIST
I 1318.00 NIST
I 1312.00 NIST
I 1330.00 NIST
I 1317.00 NIST
I 1316.00 NIST
I 1299.00 NIST
I 1316.00 NIST
I 1301.00 NIST
I 1298.00 NIST
I Outlier 1284.00 NIST
I 1297.00 NIST
I 1333.00 NIST
I 1318.00 NIST
I 1325.00 NIST
I 1330.00 NIST
I 1301.00 NIST
I Outlier 1347.00 NIST
I 1338.00 NIST
Tboil [420.65; 435.70] K Show Hide
Tboil Outlier 435.70 K NIST
Tboil 424.80 K NIST
Tboil 425.00 K NIST
Tboil 425.35 ± 0.50 K NIST
Tboil 424.75 ± 1.00 K NIST
Tboil 424.15 ± 2.00 K NIST
Tboil 424.78 ± 0.20 K NIST
Tboil 425.15 ± 2.00 K NIST
Tboil 420.65 ± 3.00 K NIST
Tboil 420.65 ± 2.00 K NIST
Tboil 421.65 ± 3.00 K NIST
Tboil 421.15 ± 2.00 K NIST
Tboil 425.45 ± 0.50 K NIST
Tboil 426.15 ± 2.00 K NIST
Tboil 420.65 ± 3.00 K NIST
Tboil 421.00 ± 4.00 K NIST
Tc [603.50; 603.50] K Show Hide
Tc 603.50 ± 0.70 K NIST
Tc 603.50 K NIST
Tc 603.50 K NIST
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 [44.46; 63.90] kJ/mol [360.50; 425.00] Show Hide
ΔvapH 46.50 kJ/mol 360.50 NIST
ΔvapH 63.90 kJ/mol 362.50 NIST
ΔvapH 53.00 kJ/mol 392.00 NIST
ΔvapH 51.10 kJ/mol 399.00 NIST
ΔvapH 44.46 kJ/mol 425.00 NIST

Similar Compounds

1-Hexanol, 5-methyl-. Isoheptanol-. 1-Hexanol, 4-methyl-. 1-Hexanol, 4-methyl-, (S)-. 1-Heptanol, 4-methyl-. 1-Heptanol, 6-methyl-. 12-Methyl-tridecanol. 10-methylundecanol. 13-Methyltetradecan-1-ol. 7-Methyloctan-1-ol. Isoheptadecanol. 13-methyltetradecanol. 1-Decanol, 9-methyl-. 1-Nonanol, 4,8-dimethyl-. 4-Methyl-1-nonanol.

Find more compounds similar to 1-Pentanol, 4-methyl-.

Sources

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