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

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
• METHYLETHYLCARBINOL
• Methyl ethyl carbinol
• NSC 25499
• SEC-BUTANOL
• SEC-BUTYL ALCOHOL
• n-Butan-2-ol
• s-Butanol
• s-Butyl alcohol
• sec-C4H9OH

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• 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).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• LFL : Lower Flammability Limit (% in Air).
• UFL : Upper Flammability Limit (% in Air).
• T_flash,oc : Flash Point (Open Cup Method) (K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• R_g : Radius of Gyration.
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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).
• γ : Surface Tension (N/m).
• 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/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5770		KDB
PAff	815.00	kJ/mol	NIST
Tig	679.26	K	KDB
BasG	784.60	kJ/mol	NIST
ΔcH°liquid	[-2660.60; -2660.60]	kJ/mol
ΔcH°liquid	-2660.60 ± 0.54	kJ/mol	NIST
ΔcH°liquid	-2660.60 ± 0.92	kJ/mol	NIST
μ	1.70	debye	KDB
LFL	1.70	% in Air	KDB
UFL	9.00	% in Air	KDB
Tflash,oc	297.04	K	KDB
ΔfG°	-167.70	kJ/mol	KDB
Rg	3.1820		KDB
ΔfH°gas	[-293.10; -292.80]	kJ/mol
ΔfH°gas	-292.80	kJ/mol	KDB
ΔfH°gas	-293.10	kJ/mol	NIST
ΔfH°gas	-293.00 ± 1.50	kJ/mol	NIST
ΔfH°liquid	[-342.70; -342.60]	kJ/mol
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°	40.79	kJ/mol	Joback Calculated Property
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
log10WS	-0.87		Crippen Calculated Property
logPoct/wat	0.777		Crippen Calculated Property
McVol	73.090	ml/mol	McGowan Calculated Property
Pc	4202.00	kPa	KDB
ρc	[275.51; 275.73]	kg/m3
ρc	275.73 ± 1.48	kg/m3	NIST
ρc	275.73	kg/m3	NIST
ρc	275.51	kg/m3	NIST
Inp	[553.00; 628.00]
Inp	605.00		NIST
Inp	577.00		NIST
Inp	Outlier 555.00		NIST
Inp	605.00		NIST
Inp	577.00		NIST
Inp	605.00		NIST
Inp	577.00		NIST
Inp	585.00		NIST
Inp	586.00		NIST
Inp	569.00		NIST
Inp	570.00		NIST
Inp	565.00		NIST
Inp	565.00		NIST
Inp	563.00		NIST
Inp	586.00		NIST
Inp	584.00		NIST
Inp	586.00		NIST
Inp	571.00		NIST
Inp	582.00		NIST
Inp	567.00		NIST
Inp	590.00		NIST
Inp	Outlier 553.00		NIST
Inp	563.00		NIST
Inp	576.00		NIST
Inp	612.00		NIST
Inp	603.00		NIST
Inp	602.00		NIST
Inp	591.00		NIST
Inp	600.60		NIST
Inp	602.20		NIST
Inp	565.00		NIST
Inp	603.00		NIST
Inp	586.00		NIST
Inp	565.00		NIST
Inp	606.00		NIST
Inp	585.00		NIST
Inp	594.00		NIST
Inp	585.00		NIST
Inp	587.00		NIST
Inp	586.00		NIST
Inp	570.00		NIST
Inp	572.00		NIST
Inp	593.00		NIST
Inp	595.00		NIST
Inp	596.00		NIST
Inp	598.00		NIST
Inp	605.00		NIST
Inp	598.00		NIST
Inp	609.00		NIST
Inp	601.00		NIST
Inp	587.00		NIST
Inp	587.64		NIST
Inp	591.00		NIST
Inp	596.00		NIST
Inp	603.00		NIST
Inp	Outlier 628.00		NIST
Inp	610.00		NIST
Inp	586.00		NIST
Inp	586.00		NIST
Inp	597.00		NIST
Inp	586.00		NIST
Inp	591.00		NIST
Inp	602.00		NIST
Inp	582.00		NIST
Inp	589.00		NIST
Inp	613.00		NIST
Inp	596.00		NIST
Inp	585.00		NIST
Inp	608.00		NIST
Inp	585.00		NIST
Inp	Outlier 624.00		NIST
Inp	601.00		NIST
Inp	586.00		NIST
I	[980.00; 1057.00]
I	1048.00		NIST
I	1038.00		NIST
I	1036.00		NIST
I	1048.00		NIST
I	1038.00		NIST
I	1036.00		NIST
I	Outlier 1057.00		NIST
I	1022.00		NIST
I	1020.00		NIST
I	1055.00		NIST
I	1038.00		NIST
I	Outlier 992.00		NIST
I	1031.00		NIST
I	1014.00		NIST
I	1041.00		NIST
I	1022.00		NIST
I	1015.00		NIST
I	1036.00		NIST
I	1024.00		NIST
I	1030.00		NIST
I	1030.00		NIST
I	1037.00		NIST
I	1022.00		NIST
I	1030.00		NIST
I	1021.00		NIST
I	1000.00		NIST
I	1022.00		NIST
I	1044.00		NIST
I	1053.00		NIST
I	1019.00		NIST
I	1039.40		NIST
I	Outlier 992.00		NIST
I	994.00		NIST
I	1027.00		NIST
I	1027.00		NIST
I	1027.00		NIST
I	1049.00		NIST
I	1041.00		NIST
I	1022.00		NIST
I	1009.00		NIST
I	1034.00		NIST
I	1016.00		NIST
I	1019.00		NIST
I	1000.00		NIST
I	1015.00		NIST
I	1031.00		NIST
I	1035.00		NIST
I	1039.00		NIST
I	1031.00		NIST
I	1029.00		NIST
I	1012.00		NIST
I	1016.00		NIST
I	1015.00		NIST
I	1045.00		NIST
I	1029.00		NIST
I	1019.00		NIST
I	1028.00		NIST
I	1027.00		NIST
I	1032.00		NIST
I	1020.00		NIST
I	1022.00		NIST
I	1022.00		NIST
I	998.00		NIST
I	998.00		NIST
I	1017.00		NIST
I	1045.00		NIST
I	1022.00		NIST
I	1030.00		NIST
I	1030.00		NIST
I	1046.00		NIST
I	1029.00		NIST
I	Outlier 988.00		NIST
I	1000.00		NIST
I	Outlier 980.00		NIST
I	1000.00		NIST
I	1022.00		NIST
I	1022.00		NIST
I	1026.00		NIST
I	1001.00		NIST
I	1000.00		NIST
I	1031.00		NIST
I	1012.00		NIST
I	1013.00		NIST
I	1048.00		NIST
I	1031.00		NIST
I	1047.00		NIST
I	1044.00		NIST
I	1019.00		NIST
I	1019.00		NIST
I	1025.00		NIST
I	1044.00		NIST
I	1035.00		NIST
I	1039.00		NIST
I	1025.00		NIST
I	1000.00		NIST
I	1005.00		NIST
I	1031.00		NIST
I	1014.00		NIST
S°gas	355.37	J/mol×K	NIST
S°liquid	[213.10; 214.70]	J/mol×K
S°liquid	213.10	J/mol×K	NIST
S°liquid	214.70	J/mol×K	NIST
Tboil	372.66	K	KDB
Tc	[535.98; 538.30]	K
Tc	536.20	K	KDB
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	[158.40; 158.45]	K
Tfus	158.40	K	KDB
Tfus	158.45	K	NIST
Ttriple	[184.70; 184.73]	K
Ttriple	184.73 ± 0.10	K	NIST
Ttriple	184.70 ± 0.02	K	NIST
Vc	[0.269; 0.269]	m3/kmol
Vc	0.269	m3/kmol	KDB
Vc	0.269	m3/kmol	NIST
Zc	0.2535390		KDB
Zra	0.26		KDB

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	281.70	NIST
Cp,liquid	199.20	J/mol×K	298.00	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
Cp,liquid	197.10	J/mol×K	298.15	NIST
η	[0.0003304; 0.4179525]	Pa×s	[180.66; 382.66]
η	0.4179525	Pa×s	180.66	Joback Calculated Property
η	0.0498950	Pa×s	214.33	Joback Calculated Property
η	0.0106075	Pa×s	247.99	Joback Calculated Property
η	0.0032653	Pa×s	281.66	Joback Calculated Property
η	0.0012927	Pa×s	315.33	Joback Calculated Property
η	0.0006119	Pa×s	348.99	Joback Calculated Property
η	0.0003304	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	184.70	NIST
ΔfusH	5.97	kJ/mol	184.70	NIST
ΔfusH	5.97	kJ/mol	184.70	NIST
ΔvapH	[35.00; 57.50]	kJ/mol	[256.50; 506.00]
ΔvapH	57.50	kJ/mol	256.50	NIST
ΔvapH	50.20	kJ/mol	297.00	NIST
ΔvapH	53.20	kJ/mol	336.50	NIST
ΔvapH	47.70	kJ/mol	339.50	NIST
ΔvapH	45.30 ± 0.10	kJ/mol	340.00	NIST
ΔvapH	47.80	kJ/mol	340.00	NIST
ΔvapH	48.80	kJ/mol	343.00	NIST
ΔvapH	48.10	kJ/mol	345.50	NIST
ΔvapH	44.10	kJ/mol	345.50	NIST
ΔvapH	46.30	kJ/mol	348.00	NIST
ΔvapH	46.20	kJ/mol	349.50	NIST
ΔvapH	49.30	kJ/mol	353.00	NIST
ΔvapH	43.30 ± 0.10	kJ/mol	355.00	NIST
ΔvapH	44.70	kJ/mol	359.50	NIST
ΔvapH	44.10	kJ/mol	363.00	NIST
ΔvapH	41.90 ± 0.10	kJ/mol	365.00	NIST
ΔvapH	43.20	kJ/mol	369.50	NIST
ΔvapH	43.20	kJ/mol	370.00	NIST
ΔvapH	40.80 ± 0.10	kJ/mol	372.00	NIST
ΔvapH	40.75	kJ/mol	372.70	NIST
ΔvapH	40.79	kJ/mol	372.80	KDB
ΔvapH	42.00	kJ/mol	386.00	NIST
ΔvapH	39.60	kJ/mol	440.00	NIST
ΔvapH	47.90	kJ/mol	448.00	NIST
ΔvapH	35.00	kJ/mol	506.00	NIST
ρl	807.00	kg/m3	293.00	KDB
ΔfusS	[32.32; 33.83]	J/mol×K	[177.38; 184.70]
ΔfusS	33.83	J/mol×K	177.38	NIST
ΔfusS	32.32	J/mol×K	184.70	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.09e-09; 4349.86]	kPa	[158.45; 536.01]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.03633e+02
Coefficient B			-9.51804e+03
Coefficient C			-1.24851e+01
Coefficient D			3.34249e-06
Temperature range, min.			158.45
Temperature range, max.			536.01
Pvap	3.09e-09	kPa	158.45	Calculated Property
Pvap	5.00e-05	kPa	200.40	Calculated Property
Pvap	0.02	kPa	242.35	Calculated Property
Pvap	0.89	kPa	284.30	Calculated Property
Pvap	12.88	kPa	326.25	Calculated Property
Pvap	87.05	kPa	368.21	Calculated Property
Pvap	355.10	kPa	410.16	Calculated Property
Pvap	1023.28	kPa	452.11	Calculated Property
Pvap	2305.81	kPa	494.06	Calculated Property
Pvap	4349.86	kPa	536.01	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanol.

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.