Chemical Properties of 1-Butanol, 2,3-dimethyl- (CAS 19550-30-2)

InChI

InChI=1S/C6H14O/c1-5(2)6(3)4-7/h5-7H,4H2,1-3H3

InChI Key

SXSWMAUXEHKFGX-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CC(C)C(C)CO

Molecular Weight¹

102.17

CAS

19550-30-2

Other Names

• (dl) 2,3-dimethyl-1-butanol
• 2,3-Dimethyl-1-butanol
• 2,3-Dimethylbutan-1-ol
• 2,3-Methylbutanol

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-142.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.96	kJ/mol	Joback Calculated Property
ΔfusH°	8.34	kJ/mol	Joback Calculated Property
ΔvapH°	44.85	kJ/mol	Joback Calculated Property
log10WS	-1.11		Crippen Calculated Property
logPoct/wat	1.271		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[823.90; 835.20]
Inp	823.90		NIST
Inp	825.10		NIST
Inp	835.20		NIST
Inp	823.90		NIST
I	[1290.00; 1291.00]
I	1290.00		NIST
I	1291.00		NIST
I	1290.00		NIST
Tboil	[406.65; 422.15]	K
Tboil	422.15 ± 2.00	K	NIST
Tboil	417.65 ± 2.00	K	NIST
Tboil	418.15 ± 2.00	K	NIST
Tboil	415.15 ± 2.00	K	NIST
Tboil	409.65 ± 4.00	K	NIST
Tboil	406.65 ± 4.00	K	NIST
Tc	596.11	K	Joback Calculated Property
Tfus	188.20	K	Joback Calculated Property
Vc	0.379	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.81; 262.76]	J/mol×K	[427.98; 596.11]
Cp,gas	207.81	J/mol×K	427.98	Joback Calculated Property
Cp,gas	217.90	J/mol×K	456.00	Joback Calculated Property
Cp,gas	227.60	J/mol×K	484.02	Joback Calculated Property
Cp,gas	236.93	J/mol×K	512.04	Joback Calculated Property
Cp,gas	245.89	J/mol×K	540.06	Joback Calculated Property
Cp,gas	254.50	J/mol×K	568.09	Joback Calculated Property
Cp,gas	262.76	J/mol×K	596.11	Joback Calculated Property
η	[0.0002307; 0.6544822]	Pa×s	[188.20; 427.98]
η	0.6544822	Pa×s	188.20	Joback Calculated Property
η	0.0545090	Pa×s	228.16	Joback Calculated Property
η	0.0095238	Pa×s	268.13	Joback Calculated Property
η	0.0026164	Pa×s	308.09	Joback Calculated Property
η	0.0009671	Pa×s	348.05	Joback Calculated Property
η	0.0004388	Pa×s	388.02	Joback Calculated Property
η	0.0002307	Pa×s	427.98	Joback Calculated Property
ΔvapH	[49.60; 51.40]	kJ/mol	[377.50; 397.50]
ΔvapH	51.40	kJ/mol	377.50	NIST
ΔvapH	49.60	kJ/mol	397.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[324.19; 436.75]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54263e+01
Coefficient B			-3.43090e+03
Coefficient C			-9.75580e+01
Temperature range, min.			324.19
Temperature range, max.			436.75
Pvap	1.33	kPa	324.19	Calculated Property
Pvap	2.94	kPa	336.70	Calculated Property
Pvap	6.00	kPa	349.20	Calculated Property
Pvap	11.45	kPa	361.71	Calculated Property
Pvap	20.60	kPa	374.22	Calculated Property
Pvap	35.21	kPa	386.72	Calculated Property
Pvap	57.59	kPa	399.23	Calculated Property
Pvap	90.57	kPa	411.74	Calculated Property
Pvap	137.57	kPa	424.24	Calculated Property
Pvap	202.63	kPa	436.75	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butanol, 2,3-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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