Chemical Properties of (S)-butan-2-ol (CAS 4221-99-2)

InChI

InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m1/s1

InChI Key

BTANRVKWQNVYAZ-SCSAIBSYSA-N

Formula

C4H10O

SMILES

CCC(C)O

Molecular Weight¹

74.12

CAS

4221-99-2

Other Names

• (+) 2-Butanol
• 2-butanol, (R)-(-)-
• L(-)-2-butanol
• R(-)-2-butanol
• l-2-butanol
• l-sec-butyl alcohol

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5296		Relay (1.0) Calculated Property
ΔfG°	-156.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-310.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.68	kJ/mol	Joback Calculated Property
ΔvapH°	49.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	0.23		Relay (1.0) Calculated Property
logPoct/wat	0.777		Crippen Calculated Property
McVol	73.090	ml/mol	McGowan Calculated Property
Pc	4432.62	kPa	Joback Calculated Property
Tboil	[372.05; 372.95]	K
Tboil	372.90 ± 0.50	K	NIST
Tboil	372.95 ± 0.50	K	NIST
Tboil	372.15 ± 1.00	K	NIST
Tboil	372.65 ± 0.30	K	NIST
Tboil	372.05 ± 0.50	K	NIST
Tc	524.19	K	Relay (1.0) Calculated Property
Tfus	178.91	K	Relay (1.0) Calculated Property
Ttriple	[177.38; 177.38]	K
Ttriple	177.38 ± 0.10	K	NIST
Ttriple	177.38 ± 0.02	K	NIST
Vc	0.278	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.52; 244.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.86100e+00
Coefficient B			4.23740e-01
Coefficient C			-2.27400e-04
Coefficient D			4.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.52	J/mol×K	273.00	Calculated Property
Cp,gas	126.33	J/mol×K	353.78	Calculated Property
Cp,gas	147.81	J/mol×K	434.56	Calculated Property
Cp,gas	167.09	J/mol×K	515.33	Calculated Property
Cp,gas	184.33	J/mol×K	596.11	Calculated Property
Cp,gas	199.67	J/mol×K	676.89	Calculated Property
Cp,gas	213.25	J/mol×K	757.67	Calculated Property
Cp,gas	225.22	J/mol×K	838.44	Calculated Property
Cp,gas	235.72	J/mol×K	919.22	Calculated Property
Cp,gas	244.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.4179525; 0.0003229]	Pa×s	[180.66; 384.04]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.44033e+01
Coefficient B			2.44449e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			180.66
Temperature range, max.			384.04
η	0.4179525	Pa×s	180.66	Calculated Property
η	0.0928547	Pa×s	203.26	Calculated Property
η	0.0278751	Pa×s	225.86	Calculated Property
η	0.0104157	Pa×s	248.45	Calculated Property
η	0.0045862	Pa×s	271.05	Calculated Property
η	0.0022911	Pa×s	293.65	Calculated Property
η	0.0012639	Pa×s	316.25	Calculated Property
η	0.0007548	Pa×s	338.84	Calculated Property
η	0.0004808	Pa×s	361.44	Calculated Property
η	0.0003229	Pa×s	384.04	Calculated Property

Similar Compounds

Find more compounds similar to (S)-butan-2-ol.

Mixtures

• (S)-butan-2-ol + Benzonitrile, 2-(4-methylphenyl)-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid-liquid phase equilibrium and mixing properties of 2-Cyano-4'-methylbiphenyl in pure solvents
• Joback Method
• McGowan Method
• NIST Webbook

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