Chemical Properties of 1-Butanol, 3-methyl- (CAS 123-51-3)

1-Butanol, 3-methyl-

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InChI
InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChI Key
PHTQWCKDNZKARW-UHFFFAOYSA-N
Formula
C5H12O
SMILES
CC(C)CCO
Molecular Weight1
88.15
CAS
123-51-3
Other Names
  • 2-Methyl-4-butanol
  • 3-Methyl-1-butanol
  • 3-Methylbutan-1-ol
  • 3-Methylbutanol
  • 3-Metil-butanolo
  • 3-methylbutanoI
  • Alcool amilico
  • Alcool isoamylique
  • Amylowy alkohol
  • Butan-1-ol, 3-methyl
  • Butanol, 3-methyl-
  • Fermentation amyl alcohol
  • Fusel Oil
  • Isoamyl alcohol
  • Isoamyl alcohol (3-methyl butanol)
  • Isoamyl alcohol, primary
  • Isoamylol
  • Isobutyl carbinol
  • Isopentan-1-ol
  • Isopentanol
  • Isopentyl alcohol
  • Methyl-3-butan-1-ol
  • NSC 1029
  • i-Amyl alcohol
  • iso-amylalkohol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3326.60 ± 1.60 kJ/mol NIST
Δcliquid -3326.20 ± 0.50 kJ/mol NIST
Δf -148.04 kJ/mol Joback Calculated Property
Δfgas -300.80 kJ/mol NIST
Δfgas -301.30 ± 1.50 kJ/mol NIST
Δfliquid -355.90 ± 1.60 kJ/mol NIST
Δfliquid -356.40 ± 0.59 kJ/mol NIST
Δfus 9.27 kJ/mol Joback Calculated Property
Δvap [44.18; 55.63] kJ/mol Show Hide
Δvap 55.63 kJ/mol NIST
Δvap 55.30 kJ/mol NIST
Δvap 55.00 ± 1.30 kJ/mol NIST
Δvap 55.10 kJ/mol NIST
Δvap 54.30 kJ/mol NIST
Δvap Outlier 44.18 ± 0.02 kJ/mol NIST
logPoct/wat 1.02 Crippen Calculated Property
Pc 3930.00 ± 20.00 kPa NIST
Pc 3930.00 ± 40.00 kPa NIST
Pc 4559.63 ± 202.65 kPa NIST
Tboil [401.15; 433.30] K Show Hide
Tboil 403.53 ± 0.25 K NIST
Tboil 403.20 K NIST
Tboil 403.91 ± 0.03 K NIST
Tboil Outlier 433.30 ± 0.20 K NIST
Tboil 404.20 K NIST
Tboil 403.75 ± 0.30 K NIST
Tboil 404.35 ± 0.30 K NIST
Tboil 404.90 ± 0.50 K NIST
Tboil 402.70 ± 0.40 K NIST
Tboil 405.20 ± 0.50 K NIST
Tboil 405.20 ± 0.50 K NIST
Tboil 405.00 ± 1.00 K NIST
Tboil 405.15 ± 1.50 K NIST
Tboil 403.95 K NIST
Tboil 405.15 ± 0.30 K NIST
Tboil 405.20 ± 0.40 K NIST
Tboil 405.00 ± 0.50 K NIST
Tboil 404.49 ± 0.15 K NIST
Tboil 405.05 ± 0.50 K NIST
Tboil 403.15 ± 2.00 K NIST
Tboil 405.15 ± 0.50 K NIST
Tboil 405.05 ± 0.30 K NIST
Tboil 404.95 ± 0.50 K NIST
Tboil 404.85 ± 0.50 K NIST
Tboil 404.65 ± 1.00 K NIST
Tboil 404.75 ± 0.50 K NIST
Tboil 405.05 ± 0.50 K NIST
Tboil 403.65 ± 2.00 K NIST
Tboil 405.10 ± 0.50 K NIST
Tboil 405.10 ± 0.60 K NIST
Tboil 404.65 ± 0.50 K NIST
Tboil 402.00 ± 3.00 K NIST
Tboil 405.15 ± 2.00 K NIST
Tboil 403.15 ± 2.00 K NIST
Tboil 403.15 ± 2.00 K NIST
Tboil 402.65 ± 2.00 K NIST
Tboil 404.15 ± 2.00 K NIST
Tboil 404.75 ± 0.70 K NIST
Tboil 403.65 ± 1.00 K NIST
Tboil 403.65 ± 1.00 K NIST
Tboil 403.85 ± 0.50 K NIST
Tboil 404.05 ± 0.50 K NIST
Tboil 401.15 ± 3.00 K NIST
Tboil 401.15 ± 3.00 K NIST
Tboil 403.40 ± 1.00 K NIST
Tboil 403.70 ± 2.00 K NIST
Tboil 405.15 ± 0.40 K NIST
Tboil 404.15 ± 2.00 K NIST
Tboil 405.15 ± 0.20 K NIST
Tboil 404.00 ± 0.40 K NIST
Tboil 404.15 ± 1.00 K NIST
Tboil 404.60 ± 0.50 K NIST
Tboil 404.50 ± 0.50 K NIST
Tboil 404.50 ± 0.50 K NIST
Tboil 405.20 ± 0.30 K NIST
Tboil 405.20 ± 0.50 K NIST
Tboil 404.40 ± 1.00 K NIST
Tboil 404.70 ± 0.50 K NIST
Tboil 404.50 ± 0.50 K NIST
Tboil 404.45 ± 0.30 K NIST
Tboil 404.50 ± 0.20 K NIST
Tboil 403.15 ± 1.00 K NIST
Tboil 406.00 ± 5.00 K NIST
Tboil 404.00 ± 0.50 K NIST
Tboil 404.30 ± 0.50 K NIST
Tboil 404.65 ± 1.00 K NIST
Tboil 404.35 ± 0.50 K NIST
Tboil 404.75 ± 0.50 K NIST
Tboil 403.90 ± 1.50 K NIST
Tboil 404.65 ± 2.00 K NIST
Tboil 401.65 ± 3.00 K NIST
Tboil 404.55 ± 0.50 K NIST
Tboil 401.15 ± 3.00 K NIST
Tboil 404.75 ± 0.20 K NIST
Tboil 402.65 ± 2.00 K NIST
Tboil 404.65 ± 2.00 K NIST
Tboil 404.15 ± 2.00 K NIST
Tboil 404.00 ± 2.00 K NIST
Tboil 404.65 ± 1.00 K NIST
Tboil 405.20 ± 2.00 K NIST
Tboil 403.26 ± 1.00 K NIST
Tboil 402.85 ± 1.50 K NIST
Tboil 404.65 ± 2.00 K NIST
Tboil 405.65 ± 3.00 K NIST
Tboil 402.15 ± 3.00 K NIST
Tc [577.20; 582.90] K Show Hide
Tc 577.20 ± 0.50 K NIST
Tc 577.20 ± 0.70 K NIST
Tc 579.40 K NIST
Tc 580.15 ± 1.00 K NIST
Tc 579.20 ± 0.35 K NIST
Tc 580.40 K NIST
Tc Outlier 582.90 K NIST
Tc 579.20 K NIST
Tc 579.80 K NIST
Tfus 191.93 K Joback Calculated Property
Vc 0.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [187.20; 200.70] J/mol×K [451.65; 499.15] Show Hide
Cp,gas 187.20 ± 1.10 J/mol×K 451.65 NIST
Cp,gas 193.70 ± 1.10 J/mol×K 474.55 NIST
Cp,gas 197.60 ± 1.10 J/mol×K 488.35 NIST
Cp,gas 200.70 ± 1.10 J/mol×K 499.15 NIST
Cp,liquid 209.52 J/mol×K 295.52 NIST
Cp,liquid 210.00 J/mol×K 303.0 NIST
Cp,liquid 257.70 J/mol×K 347.0 NIST
η 0.00 Pa×s 405.54 Joback Calculated Property
ΔvapH [44.07; 57.10] kJ/mol [303.00; 404.20] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 55.20 ± 0.20 kJ/mol 303.0 NIST
ΔvapH 54.20 ± 0.20 kJ/mol 313.0 NIST
ΔvapH 52.90 ± 0.20 kJ/mol 328.0 NIST
ΔvapH 51.40 ± 0.20 kJ/mol 343.0 NIST
ΔvapH 47.20 kJ/mol 355.0 NIST
ΔvapH 57.10 kJ/mol 357.5 NIST
ΔvapH 49.70 ± 0.20 kJ/mol 358.0 NIST
ΔvapH 56.50 kJ/mol 362.0 NIST
ΔvapH 49.80 kJ/mol 376.0 NIST
ΔvapH 44.07 kJ/mol 404.2 NIST

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH2- 2
-CH3 2
-OH (alcohol) 1

Similar Compounds

1-Butanol, 3,3-dimethyl-. 2-Methyl-1-butanol. 1-Butanol, 2-methyl-. 1-Butanol, 2-methyl-, (S)-. 1-Butanol, 2,3-dimethyl-. 1-Butanol, 2,3-dimethyl-. (S)-(+)-3-Methyl-1-pentanol. 1-Pentanol, 3-methyl-, (.+/-.)-. 1-Pentanol, 3-methyl-. 1,4-Butanediol, 2-methyl-. 1-Butanol. Vanadium, tributoxyoxo-, (T-4)-. Butane, 1-methoxy-3-methyl-. 1-Pentanol, 4-methyl-. 1,4-Butanediol.

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

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