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

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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

• Joback Method
• NIST Webbook
• Crippen Method

• PAff: Proton affinity (kJ/mol).
• BasG: Gas basicity (kJ/mol).
• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,liquid: Liquid phase heat capacity (J/mol×K).
• η: Dynamic viscosity (Pa×s).
• Δ_fG°: Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas: Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH: Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• IE: Ionization energy (eV).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	789.20	kJ/mol	NIST
BasG	758.90	kJ/mol	NIST
ΔcH°liquid	[-2677.40; -2640.00]	kJ/mol
ΔcH°liquid	-2676.18 ± 0.24	kJ/mol	NIST
ΔcH°liquid	Outlier -2640.00 ± 120.00	kJ/mol	NIST
ΔcH°liquid	-2675.61 ± 0.45	kJ/mol	NIST
ΔcH°liquid	-2676.01 ± 0.24	kJ/mol	NIST
ΔcH°liquid	-2677.40 ± 0.63	kJ/mol	NIST
ΔcH°liquid	-2674.90 ± 0.84	kJ/mol	NIST
ΔcH°liquid	-2670.40 ± 0.42	kJ/mol	NIST
ΔcH°liquid	-2670.44	kJ/mol	NIST
ΔcH°liquid	-2676.00	kJ/mol	NIST
ΔcH°liquid	-2670.77	kJ/mol	NIST
ΔfG°	-154.02	kJ/mol	Joback Calculated Property
ΔfH°gas	[-281.40; -273.50]	kJ/mol
ΔfH°gas	-275.60	kJ/mol	NIST
ΔfH°gas	-274.70 ± 0.30	kJ/mol	NIST
ΔfH°gas	-275.28 ± 0.53	kJ/mol	NIST
ΔfH°gas	-275.80	kJ/mol	NIST
ΔfH°gas	-274.90 ± 0.30	kJ/mol	NIST
ΔfH°gas	-274.40	kJ/mol	NIST
ΔfH°gas	-273.50 ± 0.70	kJ/mol	NIST
ΔfH°gas	-280.00 ± 0.92	kJ/mol	NIST
ΔfH°gas	-277.00 ± 1.50	kJ/mol	NIST
ΔfH°gas	-281.40	kJ/mol	NIST
ΔfH°gas	-280.50 ± 0.40	kJ/mol	NIST
ΔfH°gas	-278.20	kJ/mol	NIST
ΔfH°gas	-277.30 ± 3.00	kJ/mol	NIST
ΔfH°liquid	[-332.80; -325.80]	kJ/mol
ΔfH°liquid	-327.01 ± 0.24	kJ/mol	NIST
ΔfH°liquid	-327.58 ± 0.52	kJ/mol	NIST
ΔfH°liquid	-327.18 ± 0.24	kJ/mol	NIST
ΔfH°liquid	-325.80 ± 0.67	kJ/mol	NIST
ΔfH°liquid	-328.40 ± 0.84	kJ/mol	NIST
ΔfH°liquid	Outlier -332.80 ± 0.42	kJ/mol	NIST
ΔfH°liquid	-329.60	kJ/mol	NIST
ΔfusH°	10.20	kJ/mol	Joback Calculated Property
ΔvapH°	[43.81; 55.20]	kJ/mol
ΔvapH°	52.42	kJ/mol	NIST
ΔvapH°	51.70	kJ/mol	NIST
ΔvapH°	48.40	kJ/mol	NIST
ΔvapH°	52.50	kJ/mol	NIST
ΔvapH°	55.20	kJ/mol	NIST
ΔvapH°	52.10	kJ/mol	NIST
ΔvapH°	52.34 ± 0.03	kJ/mol	NIST
ΔvapH°	52.34 ± 0.02	kJ/mol	NIST
ΔvapH°	52.30	kJ/mol	NIST
ΔvapH°	52.30 ± 0.10	kJ/mol	NIST
ΔvapH°	52.30 ± 0.08	kJ/mol	NIST
ΔvapH°	51.00 ± 0.10	kJ/mol	NIST
ΔvapH°	52.80 ± 0.84	kJ/mol	NIST
ΔvapH°	51.90 ± 0.40	kJ/mol	NIST
ΔvapH°	51.40	kJ/mol	NIST
ΔvapH°	Outlier 43.81 ± 0.04	kJ/mol	NIST
IE	[9.99; 10.64]	eV
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
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
S°gas	361.98	J/mol×K	NIST
S°liquid	225.73	J/mol×K	NIST
S°liquid	228.00	J/mol×K	NIST
S°liquid	251.90	J/mol×K	NIST
Tboil	[355.70; 450.74]	K
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
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
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]
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]
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]
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]
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
-CH2-	3
-CH3	1
-OH (alcohol)	1

Similar Compounds

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.