Chemical Properties of 2-Butanol (CAS 78-92-2)

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InChI

InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

InChI Key

BTANRVKWQNVYAZ-UHFFFAOYSA-N

Formula

C4H10O

SMILES

CCC(C)O

Molecular Weight¹

74.12

CAS

78-92-2

Other Names

• 1-Methyl propanol
• 1-Methyl-1-propanol
• 1-Methylpropyl alcohol
• 2-Butyl alcohol
• 2-Hydroxybutane
• Alcool butylique secondaire
• Butan-2-ol
• Butane, 2-hydroxy-
• Butanol secondaire
• Butanol-2
• Butylene hydrate
• CCS 301
• DL-2-Butanol
• DL-sec-Butanol
• Ethyl methyl carbinol
• Methyl ethyl carbinol
• NSC 25499
• n-Butan-2-ol
• s-Butanol
• s-Butyl alcohol
• sec-Butanol
• sec-Butyl Alcohol
• sec-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	815.00	kJ/mol	NIST
BasG	784.60	kJ/mol	NIST
ΔcH°liquid	-2660.60 ± 0.54	kJ/mol	NIST
ΔcH°liquid	-2660.60 ± 0.92	kJ/mol	NIST
ΔfG°	-156.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-293.10	kJ/mol	NIST
ΔfH°gas	-293.00 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-342.70 ± 0.59	kJ/mol	NIST
ΔfH°liquid	-342.60 ± 0.92	kJ/mol	NIST
ΔfusH°	6.68	kJ/mol	Joback Calculated Property
ΔvapH°	[41.70; 49.81]	kJ/mol
ΔvapH°	49.81	kJ/mol	NIST
ΔvapH°	46.20	kJ/mol	NIST
ΔvapH°	49.79 ± 0.02	kJ/mol	NIST
ΔvapH°	49.74 ± 0.02	kJ/mol	NIST
ΔvapH°	49.70 ± 0.10	kJ/mol	NIST
ΔvapH°	49.66 ± 0.08	kJ/mol	NIST
ΔvapH°	48.50	kJ/mol	NIST
ΔvapH°	49.45	kJ/mol	NIST
ΔvapH°	Outlier 41.70 ± 0.20	kJ/mol	NIST
IE	[9.88; 10.35]	eV
IE	9.88 ± 0.03	eV	NIST
IE	9.88 ± 0.03	eV	NIST
IE	9.88 ± 0.07	eV	NIST
IE	9.88	eV	NIST
IE	9.88	eV	NIST
IE	10.23	eV	NIST
IE	10.35 ± 0.03	eV	NIST
logPoct/wat	0.777		Crippen Calculated Property
Pc	[4179.00; 4210.00]	kPa
Pc	4200.00 ± 20.00	kPa	NIST
Pc	4210.00	kPa	NIST
Pc	4203.00 ± 20.00	kPa	NIST
Pc	4203.00 ± 20.00	kPa	NIST
Pc	4179.00	kPa	NIST
Pc	4194.00	kPa	NIST
S°gas	355.37	J/mol×K	NIST
S°liquid	213.10	J/mol×K	NIST
S°liquid	214.70	J/mol×K	NIST
Tboil	[369.15; 373.35]	K
Tboil	372.66 ± 0.10	K	NIST
Tboil	372.59 ± 0.25	K	NIST
Tboil	373.00	K	NIST
Tboil	372.62 ± 0.20	K	NIST
Tboil	372.75 ± 0.30	K	NIST
Tboil	372.70	K	NIST
Tboil	372.40 ± 0.25	K	NIST
Tboil	372.66 ± 0.15	K	NIST
Tboil	372.70 ± 0.30	K	NIST
Tboil	372.15 ± 0.40	K	NIST
Tboil	372.90 ± 0.40	K	NIST
Tboil	372.90 ± 0.30	K	NIST
Tboil	372.90 ± 0.30	K	NIST
Tboil	372.90 ± 0.30	K	NIST
Tboil	372.70 ± 0.50	K	NIST
Tboil	372.56 ± 0.12	K	NIST
Tboil	372.65	K	NIST
Tboil	372.85 ± 0.20	K	NIST
Tboil	372.56 ± 0.10	K	NIST
Tboil	371.40 ± 1.00	K	NIST
Tboil	372.55 ± 0.30	K	NIST
Tboil	371.65 ± 2.00	K	NIST
Tboil	Outlier 369.15 ± 3.00	K	NIST
Tboil	372.15 ± 1.00	K	NIST
Tboil	372.45 ± 0.30	K	NIST
Tboil	372.55 ± 0.40	K	NIST
Tboil	372.15 ± 1.00	K	NIST
Tboil	371.40 ± 1.00	K	NIST
Tboil	372.65 ± 0.50	K	NIST
Tboil	372.65 ± 0.50	K	NIST
Tboil	372.15 ± 0.50	K	NIST
Tboil	372.65 ± 0.50	K	NIST
Tboil	372.65 ± 0.50	K	NIST
Tboil	372.65 ± 0.50	K	NIST
Tboil	372.15 ± 1.00	K	NIST
Tboil	372.70 ± 0.40	K	NIST
Tboil	371.15 ± 1.00	K	NIST
Tboil	372.20 ± 1.50	K	NIST
Tboil	372.40 ± 0.50	K	NIST
Tboil	373.35 ± 1.00	K	NIST
Tboil	371.45 ± 0.50	K	NIST
Tboil	372.40 ± 0.50	K	NIST
Tboil	372.15 ± 2.00	K	NIST
Tboil	373.15 ± 2.00	K	NIST
Tboil	372.68 ± 0.10	K	NIST
Tboil	Outlier 370.90 ± 2.00	K	NIST
Tboil	372.90 ± 0.50	K	NIST
Tboil	372.75 ± 0.30	K	NIST
Tboil	372.65 ± 0.30	K	NIST
Tboil	372.00 ± 0.50	K	NIST
Tboil	372.65 ± 0.30	K	NIST
Tboil	372.65 ± 0.50	K	NIST
Tboil	372.65 ± 0.10	K	NIST
Tboil	372.35 ± 1.00	K	NIST
Tboil	371.15 ± 1.00	K	NIST
Tboil	373.15 ± 2.00	K	NIST
Tboil	372.67 ± 0.20	K	NIST
Tboil	372.65 ± 0.15	K	NIST
Tboil	372.55 ± 0.10	K	NIST
Tboil	Outlier 370.65 ± 3.00	K	NIST
Tboil	372.65 ± 0.05	K	NIST
Tboil	372.68 ± 0.05	K	NIST
Tboil	373.15 ± 1.00	K	NIST
Tboil	371.85 ± 0.60	K	NIST
Tboil	371.15 ± 1.00	K	NIST
Tboil	372.65 ± 2.00	K	NIST
Tboil	372.15 ± 2.00	K	NIST
Tboil	372.15 ± 1.00	K	NIST
Tboil	372.70 ± 0.50	K	NIST
Tboil	372.40 ± 1.00	K	NIST
Tboil	372.15 ± 1.00	K	NIST
Tboil	371.65 ± 2.00	K	NIST
Tc	[535.98; 538.30]	K
Tc	536.20 ± 0.30	K	NIST
Tc	536.60	K	NIST
Tc	536.10 ± 0.60	K	NIST
Tc	536.10 ± 0.60	K	NIST
Tc	536.18	K	NIST
Tc	536.00	K	NIST
Tc	535.98	K	NIST
Tc	Outlier 538.30	K	NIST
Tfus	158.45	K	NIST
Ttriple	184.73 ± 0.10	K	NIST
Ttriple	184.70 ± 0.02	K	NIST
Vc	0.269	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.71; 184.89]	J/mol×K	[365.15; 582.85]
Cp,gas	131.71 ± 0.40	J/mol×K	365.15	NIST
Cp,gas	137.87 ± 0.67	J/mol×K	380.95	NIST
Cp,gas	136.52 ± 0.41	J/mol×K	383.15	NIST
Cp,gas	139.10 ± 0.67	J/mol×K	386.25	NIST
Cp,gas	140.85 ± 0.67	J/mol×K	393.75	NIST
Cp,gas	141.46 ± 0.42	J/mol×K	401.15	NIST
Cp,gas	143.50 ± 0.67	J/mol×K	405.15	NIST
Cp,gas	143.74 ± 0.67	J/mol×K	406.15	NIST
Cp,gas	146.32 ± 0.67	J/mol×K	417.25	NIST
Cp,gas	146.23 ± 0.44	J/mol×K	419.15	NIST
Cp,gas	150.96 ± 0.45	J/mol×K	437.15	NIST
Cp,gas	151.79 ± 0.67	J/mol×K	440.75	NIST
Cp,gas	155.64 ± 0.47	J/mol×K	455.15	NIST
Cp,gas	158.81 ± 0.67	J/mol×K	470.85	NIST
Cp,gas	169.31 ± 0.67	J/mol×K	515.95	NIST
Cp,gas	179.65 ± 0.67	J/mol×K	560.35	NIST
Cp,gas	184.89 ± 0.67	J/mol×K	582.85	NIST
Cp,liquid	[184.90; 199.20]	J/mol×K	[281.70; 298.15]
Cp,liquid	184.90	J/mol×K	281.7	NIST
Cp,liquid	199.20	J/mol×K	298.0	NIST
Cp,liquid	197.10	J/mol×K	298.15	NIST
Cp,liquid	198.03	J/mol×K	298.15	NIST
Cp,liquid	196.67	J/mol×K	298.15	NIST
Cp,liquid	197.40	J/mol×K	298.15	NIST
Cp,liquid	196.80	J/mol×K	298.15	NIST
η	0.0003302	Pa×s	382.66	Joback Calculated Property
ΔfusH	[5.97; 6.00]	kJ/mol	[177.38; 184.70]
ΔfusH	6.00	kJ/mol	177.38	NIST
ΔfusH	5.97	kJ/mol	184.7	NIST
ΔfusH	5.97	kJ/mol	184.7	NIST
ΔfusH	5.97	kJ/mol	184.7	NIST
ΔvapH	[35.00; 57.50]	kJ/mol	[256.50; 506.00]
ΔvapH	57.50	kJ/mol	256.5	NIST
ΔvapH	50.20	kJ/mol	297.0	NIST
ΔvapH	53.20	kJ/mol	336.5	NIST
ΔvapH	47.70	kJ/mol	339.5	NIST
ΔvapH	47.80	kJ/mol	340.0	NIST
ΔvapH	45.30 ± 0.10	kJ/mol	340.0	NIST
ΔvapH	48.80	kJ/mol	343.0	NIST
ΔvapH	44.10	kJ/mol	345.5	NIST
ΔvapH	48.10	kJ/mol	345.5	NIST
ΔvapH	46.30	kJ/mol	348.0	NIST
ΔvapH	46.20	kJ/mol	349.5	NIST
ΔvapH	49.30	kJ/mol	353.0	NIST
ΔvapH	43.30 ± 0.10	kJ/mol	355.0	NIST
ΔvapH	44.70	kJ/mol	359.5	NIST
ΔvapH	44.10	kJ/mol	363.0	NIST
ΔvapH	41.90 ± 0.10	kJ/mol	365.0	NIST
ΔvapH	43.20	kJ/mol	369.5	NIST
ΔvapH	43.20	kJ/mol	370.0	NIST
ΔvapH	40.80 ± 0.10	kJ/mol	372.0	NIST
ΔvapH	40.75	kJ/mol	372.7	NIST
ΔvapH	42.00	kJ/mol	386.0	NIST
ΔvapH	39.60	kJ/mol	440.0	NIST
ΔvapH	47.90	kJ/mol	448.0	NIST
ΔvapH	35.00	kJ/mol	506.0	NIST
ΔfusS	33.83	J/mol×K	177.38	NIST
ΔfusS	32.32	J/mol×K	184.7	NIST

Molecular Descriptors

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

Similar Compounds

Find more compounds similar to 2-Butanol.

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