Chemical Properties of 1-Butanol (CAS 71-36-3)

1-Butanol

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InChI
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Formula
C4H10O
SMILES
CCCCO
Molecular Weight1
74.12
CAS
71-36-3
Other Names
  • 1-Butyl alcohol
  • 1-Hydroxybutane
  • Alcool butylique
  • Butan-1-ol
  • Butanol
  • Butanol-1
  • Butanolen
  • Butanolo
  • Butyl alcohol
  • Butyl hydroxide
  • Butylowy alkohol
  • Butyric alcohol
  • CCS 203
  • Hemostyp
  • Methylolpropane
  • NSC 62782
  • Propylcarbinol
  • Propylmethanol
  • Rcra waste number U031
  • n-Butan-1-ol
  • n-Butanol
  • n-Butyl alcohol
  • n-C4H9OH
Sources

Physical Properties

Property Value Unit Source
PAff 789.20 kJ/mol NIST
BasG 758.90 kJ/mol NIST
Δcliquid [-2677.40; -2640.00] kJ/mol Show Hide
Δcliquid -2676.18 ± 0.24 kJ/mol NIST
Δcliquid Outlier -2640.00 ± 120.00 kJ/mol NIST
Δcliquid -2675.61 ± 0.45 kJ/mol NIST
Δcliquid -2676.01 ± 0.24 kJ/mol NIST
Δcliquid -2677.40 ± 0.63 kJ/mol NIST
Δcliquid -2674.90 ± 0.84 kJ/mol NIST
Δcliquid -2670.40 ± 0.42 kJ/mol NIST
Δcliquid -2670.44 kJ/mol NIST
Δcliquid -2676.00 kJ/mol NIST
Δcliquid -2670.77 kJ/mol NIST
Δf -154.02 kJ/mol Joback Calculated Property
Δfgas [-281.40; -273.50] kJ/mol Show Hide
Δfgas -275.60 kJ/mol NIST
Δfgas -274.70 ± 0.30 kJ/mol NIST
Δfgas -275.28 ± 0.53 kJ/mol NIST
Δfgas -275.80 kJ/mol NIST
Δfgas -274.90 ± 0.30 kJ/mol NIST
Δfgas -274.40 kJ/mol NIST
Δfgas -273.50 ± 0.70 kJ/mol NIST
Δfgas -280.00 ± 0.92 kJ/mol NIST
Δfgas -277.00 ± 1.50 kJ/mol NIST
Δfgas -281.40 kJ/mol NIST
Δfgas -280.50 ± 0.40 kJ/mol NIST
Δfgas -278.20 kJ/mol NIST
Δfgas -277.30 ± 3.00 kJ/mol NIST
Δfliquid [-332.80; -325.80] kJ/mol Show Hide
Δfliquid -327.01 ± 0.24 kJ/mol NIST
Δfliquid -327.58 ± 0.52 kJ/mol NIST
Δfliquid -327.18 ± 0.24 kJ/mol NIST
Δfliquid -325.80 ± 0.67 kJ/mol NIST
Δfliquid -328.40 ± 0.84 kJ/mol NIST
Δfliquid Outlier -332.80 ± 0.42 kJ/mol NIST
Δfliquid -329.60 kJ/mol NIST
Δfus 10.20 kJ/mol Joback Calculated Property
Δvap [43.81; 55.20] kJ/mol Show Hide
Δvap 52.42 kJ/mol NIST
Δvap 51.70 kJ/mol NIST
Δvap 48.40 kJ/mol NIST
Δvap 52.50 kJ/mol NIST
Δvap 55.20 kJ/mol NIST
Δvap 52.10 kJ/mol NIST
Δvap 52.34 ± 0.03 kJ/mol NIST
Δvap 52.34 ± 0.02 kJ/mol NIST
Δvap 52.30 kJ/mol NIST
Δvap 52.30 ± 0.10 kJ/mol NIST
Δvap 52.30 ± 0.08 kJ/mol NIST
Δvap 51.00 ± 0.10 kJ/mol NIST
Δvap 52.80 ± 0.84 kJ/mol NIST
Δvap 51.90 ± 0.40 kJ/mol NIST
Δvap 51.40 kJ/mol NIST
Δvap Outlier 43.81 ± 0.04 kJ/mol NIST
IE [9.99; 10.64] eV Show Hide
IE 9.99 ± 0.05 eV NIST
IE 10.10 ± 0.05 eV NIST
IE 9.99 ± 0.05 eV NIST
IE 10.64 ± 0.07 eV NIST
IE 10.09 ± 0.02 eV NIST
IE 10.37 eV NIST
IE 10.37 eV NIST
IE 10.04 eV NIST
IE 10.43 eV NIST
IE 10.44 ± 0.03 eV NIST
IE 10.37 eV NIST
logPoct/wat 0.779 Crippen Calculated Property
Pc [4410.00; 4924.00] kPa Show Hide
Pc 4410.00 ± 20.00 kPa NIST
Pc 4410.00 kPa NIST
Pc 4418.00 ± 20.00 kPa NIST
Pc 4418.00 ± 20.00 kPa NIST
Pc 4423.00 kPa NIST
Pc 4413.00 kPa NIST
Pc 4413.00 kPa NIST
Pc 4415.00 kPa NIST
Pc Outlier 4924.00 ± 30.00 kPa NIST
Pc 4904.13 ± 60.79 kPa NIST
gas 361.98 J/mol×K NIST
liquid 225.73 J/mol×K NIST
liquid 228.00 J/mol×K NIST
liquid 251.90 J/mol×K NIST
Tboil [355.70; 450.74] K Show Hide
Tboil 390.77 ± 0.07 K NIST
Tboil 390.70 ± 0.40 K NIST
Tboil 390.80 ± 0.10 K NIST
Tboil 390.80 ± 0.25 K NIST
Tboil 390.75 ± 0.40 K NIST
Tboil 390.40 K NIST
Tboil 391.00 K NIST
Tboil 390.85 ± 0.25 K NIST
Tboil 390.92 ± 0.10 K NIST
Tboil 390.75 ± 0.30 K NIST
Tboil 390.90 K NIST
Tboil 390.85 ± 0.40 K NIST
Tboil 390.85 ± 0.30 K NIST
Tboil Outlier 450.74 ± 0.10 K NIST
Tboil 390.15 ± 0.40 K NIST
Tboil 389.85 ± 0.40 K NIST
Tboil 390.80 ± 0.40 K NIST
Tboil 390.10 ± 0.50 K NIST
Tboil 390.65 ± 0.30 K NIST
Tboil 390.55 ± 0.08 K NIST
Tboil 390.80 ± 0.40 K NIST
Tboil 390.80 ± 0.30 K NIST
Tboil 390.80 ± 0.30 K NIST
Tboil 391.20 ± 0.30 K NIST
Tboil 390.51 ± 0.20 K NIST
Tboil 390.90 ± 0.30 K NIST
Tboil 390.75 ± 0.30 K NIST
Tboil 391.00 ± 0.40 K NIST
Tboil 390.35 ± 0.30 K NIST
Tboil 390.90 ± 0.30 K NIST
Tboil 390.85 K NIST
Tboil 390.75 ± 0.30 K NIST
Tboil 391.00 ± 0.15 K NIST
Tboil 390.80 ± 0.50 K NIST
Tboil 390.20 ± 2.00 K NIST
Tboil 390.87 ± 0.50 K NIST
Tboil 390.85 ± 0.30 K NIST
Tboil 390.85 ± 0.40 K NIST
Tboil 390.85 ± 0.30 K NIST
Tboil 390.67 ± 0.20 K NIST
Tboil 390.95 ± 0.20 K NIST
Tboil 390.85 ± 0.40 K NIST
Tboil 389.15 ± 2.00 K NIST
Tboil 390.85 K NIST
Tboil 390.15 ± 0.50 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 390.50 ± 0.50 K NIST
Tboil 390.95 ± 0.30 K NIST
Tboil 389.30 ± 1.00 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 390.65 ± 1.00 K NIST
Tboil 390.65 ± 0.30 K NIST
Tboil 390.15 ± 1.00 K NIST
Tboil 390.95 ± 0.50 K NIST
Tboil 390.65 ± 0.30 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 390.65 ± 0.50 K NIST
Tboil 390.25 ± 0.30 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 390.75 ± 0.20 K NIST
Tboil 390.15 ± 0.50 K NIST
Tboil 388.15 ± 2.00 K NIST
Tboil 390.56 ± 0.20 K NIST
Tboil 389.90 ± 1.00 K NIST
Tboil 390.85 ± 0.30 K NIST
Tboil 390.50 ± 0.50 K NIST
Tboil 391.15 ± 1.00 K NIST
Tboil 390.55 ± 0.30 K NIST
Tboil 389.65 ± 1.00 K NIST
Tboil 391.05 ± 0.50 K NIST
Tboil 390.80 ± 0.50 K NIST
Tboil 390.95 ± 0.50 K NIST
Tboil 389.65 ± 1.00 K NIST
Tboil 389.90 ± 1.00 K NIST
Tboil 390.55 ± 0.05 K NIST
Tboil 390.85 ± 0.30 K NIST
Tboil 391.25 ± 0.50 K NIST
Tboil 390.95 ± 0.30 K NIST
Tboil 391.00 ± 0.40 K NIST
Tboil 390.95 ± 0.50 K NIST
Tboil 390.80 ± 0.50 K NIST
Tboil 390.00 ± 1.00 K NIST
Tboil 390.82 ± 0.25 K NIST
Tboil 390.95 ± 0.30 K NIST
Tboil 390.75 ± 0.30 K NIST
Tboil 391.15 ± 1.00 K NIST
Tboil 390.65 ± 1.00 K NIST
Tboil 390.95 ± 0.30 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 390.15 ± 1.00 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 390.75 ± 0.50 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 388.90 ± 2.00 K NIST
Tboil 390.15 ± 1.00 K NIST
Tboil 390.87 ± 0.05 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 391.15 ± 0.50 K NIST
Tboil 390.00 ± 3.00 K NIST
Tboil 389.65 ± 1.00 K NIST
Tboil 391.15 ± 1.00 K NIST
Tboil 390.86 ± 0.10 K NIST
Tboil 390.40 ± 0.10 K NIST
Tboil 390.84 ± 0.10 K NIST
Tboil 390.50 ± 0.50 K NIST
Tboil 390.55 ± 0.50 K NIST
Tboil 390.57 ± 0.20 K NIST
Tboil 390.90 ± 0.30 K NIST
Tboil 390.90 ± 0.25 K NIST
Tboil 390.30 ± 0.30 K NIST
Tboil 390.45 ± 0.50 K NIST
Tboil 390.40 ± 0.50 K NIST
Tboil 390.90 ± 0.40 K NIST
Tboil 391.15 ± 0.20 K NIST
Tboil 390.75 ± 0.30 K NIST
Tboil Outlier 355.70 ± 0.50 K NIST
Tboil 390.65 ± 0.50 K NIST
Tboil 390.80 ± 0.50 K NIST
Tboil 389.40 ± 1.00 K NIST
Tboil 390.90 ± 0.20 K NIST
Tboil 390.95 ± 0.20 K NIST
Tboil 389.75 ± 0.50 K NIST
Tboil 390.70 ± 0.70 K NIST
Tboil 391.00 ± 0.30 K NIST
Tboil 390.60 ± 0.50 K NIST
Tboil 390.00 ± 1.50 K NIST
Tboil 390.65 ± 0.50 K NIST
Tboil 390.85 ± 0.50 K NIST
Tboil 390.80 ± 0.50 K NIST
Tboil 390.25 ± 0.20 K NIST
Tboil 390.65 ± 0.30 K NIST
Tboil 390.75 ± 0.30 K NIST
Tboil 389.55 ± 0.70 K NIST
Tboil 390.86 ± 0.05 K NIST
Tboil 390.75 ± 0.50 K NIST
Tboil 390.25 ± 0.20 K NIST
Tboil 389.65 ± 1.00 K NIST
Tboil 390.90 ± 0.50 K NIST
Tboil 390.65 ± 0.30 K NIST
Tboil 389.65 ± 0.50 K NIST
Tboil 389.15 ± 2.00 K NIST
Tboil 390.17 ± 0.20 K NIST
Tboil 390.65 ± 0.50 K NIST
Tboil 390.00 ± 1.50 K NIST
Tboil 390.03 ± 1.50 K NIST
Tboil 389.65 ± 2.50 K NIST
Tboil 380.15 ± 2.00 K NIST
Tc [560.10; 564.20] K Show Hide
Tc 563.00 ± 0.30 K NIST
Tc 563.60 K NIST
Tc 562.40 ± 0.60 K NIST
Tc 562.40 ± 0.60 K NIST
Tc 562.40 K NIST
Tc 562.90 K NIST
Tc 562.20 ± 0.20 K NIST
Tc 562.20 ± 0.30 K NIST
Tc 562.20 ± 0.30 K NIST
Tc 562.20 ± 0.40 K NIST
Tc 562.20 ± 0.40 K NIST
Tc 561.00 ± 2.00 K NIST
Tc 563.05 K NIST
Tc 563.01 K NIST
Tc 560.20 K NIST
Tc 564.20 K NIST
Tc 560.20 K NIST
Tc 562.92 K NIST
Tc 560.10 ± 0.20 K NIST
Tc 561.20 K NIST
Tc 560.30 K NIST
Tfus [183.35; 193.65] K Show Hide
Tfus 183.85 K NIST
Tfus 183.85 K NIST
Tfus 193.15 ± 5.00 K NIST
Tfus 192.55 ± 0.50 K NIST
Tfus 184.00 ± 2.00 K NIST
Tfus 193.65 ± 1.00 K NIST
Tfus 183.35 ± 0.20 K NIST
Ttriple 184.54 ± 0.02 K NIST
Ttriple 184.51 ± 0.05 K NIST
Ttriple 183.90 ± 0.20 K NIST
Vc 0.274 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [137.88; 189.31] J/mol×K [395.25; 603.35] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 140.93 ± 0.79 J/mol×K 395.25 NIST
Cp,gas 137.88 J/mol×K 398.15 NIST
Cp,gas 143.00 ± 0.79 J/mol×K 404.15 NIST
Cp,gas 144.16 ± 0.79 J/mol×K 409.15 NIST
Cp,gas 142.06 J/mol×K 413.15 NIST
Cp,gas 146.58 ± 0.79 J/mol×K 419.55 NIST
Cp,gas 149.26 ± 0.79 J/mol×K 431.05 NIST
Cp,gas 147.42 J/mol×K 433.15 NIST
Cp,gas 151.60 ± 0.79 J/mol×K 441.15 NIST
Cp,gas 152.66 J/mol×K 453.15 NIST
Cp,gas 155.88 ± 0.79 J/mol×K 459.55 NIST
Cp,gas 162.55 ± 0.79 J/mol×K 488.25 NIST
Cp,gas 169.95 ± 0.79 J/mol×K 520.05 NIST
Cp,gas 175.97 ± 0.79 J/mol×K 545.95 NIST
Cp,gas 181.20 ± 0.79 J/mol×K 568.45 NIST
Cp,gas 189.31 ± 0.79 J/mol×K 603.35 NIST
Cp,liquid [174.30; 215.50] J/mol×K [293.15; 323.00] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 174.30 J/mol×K 293.15 NIST
Cp,liquid 175.30 J/mol×K 294.0 NIST
Cp,liquid 177.70 J/mol×K 298.0 NIST
Cp,liquid 183.30 J/mol×K 298.0 NIST
Cp,liquid 174.50 J/mol×K 298.0 NIST
Cp,liquid 176.86 J/mol×K 298.15 NIST
Cp,liquid 176.67 J/mol×K 298.15 NIST
Cp,liquid 177.18 J/mol×K 298.15 NIST
Cp,liquid 175.97 J/mol×K 298.15 NIST
Cp,liquid 176.69 J/mol×K 298.15 NIST
Cp,liquid 177.08 J/mol×K 298.15 NIST
Cp,liquid 177.03 J/mol×K 298.15 NIST
Cp,liquid 179.50 J/mol×K 301.2 NIST
Cp,liquid 215.50 J/mol×K 302.6 NIST
Cp,liquid 180.30 J/mol×K 303.0 NIST
Cp,liquid 181.60 J/mol×K 303.5 NIST
Cp,liquid 192.20 J/mol×K 321.05 NIST
Cp,liquid 189.10 J/mol×K 323.0 NIST
η 0.0003396 Pa×s 383.1 Joback Calculated Property
ΔfusH [9.28; 9.37] kJ/mol [183.90; 184.50] Show Hide
ΔfusH 9.28 kJ/mol 183.9 NIST
ΔfusH 9.28 kJ/mol 183.9 NIST
ΔfusH 9.28 kJ/mol 183.9 NIST
ΔfusH 9.37 kJ/mol 184.5 NIST
ΔvapH [20.80; 55.00] kJ/mol [230.00; 530.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 51.60 kJ/mol 230.0 NIST
ΔvapH 49.50 ± 0.10 kJ/mol 333.0 NIST
ΔvapH 48.60 ± 0.10 kJ/mol 343.0 NIST
ΔvapH 53.00 kJ/mol 343.0 NIST
ΔvapH 55.00 kJ/mol 346.0 NIST
ΔvapH 48.30 kJ/mol 352.0 NIST
ΔvapH 49.90 kJ/mol 352.5 NIST
ΔvapH 47.50 ± 0.10 kJ/mol 353.0 NIST
ΔvapH 47.20 ± 0.10 kJ/mol 356.0 NIST
ΔvapH 49.00 kJ/mol 360.0 NIST
ΔvapH 46.40 ± 0.10 kJ/mol 363.0 NIST
ΔvapH 48.30 kJ/mol 363.5 NIST
ΔvapH 50.10 kJ/mol 368.0 NIST
ΔvapH 46.00 kJ/mol 373.0 NIST
ΔvapH 47.20 kJ/mol 374.0 NIST
ΔvapH 46.60 kJ/mol 380.0 NIST
ΔvapH 45.40 ± 0.10 kJ/mol 381.0 NIST
ΔvapH 45.30 kJ/mol 383.5 NIST
ΔvapH 45.40 kJ/mol 386.5 NIST
ΔvapH 45.30 kJ/mol 387.5 NIST
ΔvapH 43.29 kJ/mol 390.9 NIST
ΔvapH 43.10 ± 0.10 kJ/mol 391.0 NIST
ΔvapH 43.80 kJ/mol 410.0 NIST
ΔvapH 38.20 kJ/mol 423.0 NIST
ΔvapH 41.90 kJ/mol 458.0 NIST
ΔvapH 29.60 kJ/mol 473.0 NIST
ΔvapH 41.90 kJ/mol 481.5 NIST
ΔvapH 42.10 kJ/mol 491.0 NIST
ΔvapH 20.80 kJ/mol 523.0 NIST
ΔvapH 37.40 kJ/mol 530.0 NIST
ΔfusS 50.46 J/mol×K 183.9 NIST
ΔfusS 50.79 J/mol×K 184.5 NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 1
-CH3 1
-CH2- 3

Similar Compounds

Vanadium, tributoxyoxo-, (T-4)-. 1,4-Butanediol. Titanic acid, tetrapentyl ester. 1-Pentanol. 1-Propanol. CH2CH2CH2OH. 1,5-Pentanediol. 1-Butanol, 3-methyl-. 2-Butanol. (S)-butan-2-ol. 2-Butanol. 2-Butanol, (R)-. 1,3-Butanediol. Butane, 1-methoxy-. 1,3-Butanediol.

Find more compounds similar to 1-Butanol.

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