Chemical Properties of 1,2-Butanediol (CAS 584-03-2)

InChI

InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

InChI Key

BMRWNKZVCUKKSR-UHFFFAOYSA-N

Formula

C4H10O2

SMILES

CCC(O)CO

Molecular Weight¹

90.12

CAS

584-03-2

Other Names

• 1,2-Butylene glycol
• «alpha»-Butylene glycol
• Ethylethylene glycol
• 1,2-(Dihydroxy)butane
• Butane-1,2-diol
• DL-1,2-Butanediol
• 1,2-Butandiol
• NSC 24242

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• 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).
• 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
ΔcH°liquid	-2479.00	kJ/mol	NIST
ΔfG°	-293.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-435.63	kJ/mol	Joback Calculated Property
ΔfH°liquid	-523.80	kJ/mol	NIST
ΔfusH°	10.77	kJ/mol	Joback Calculated Property
ΔvapH°	57.47	kJ/mol	Joback Calculated Property
log10WS	-0.14		Crippen Calculated Property
logPoct/wat	-0.250		Crippen Calculated Property
McVol	78.960	ml/mol	McGowan Calculated Property
Pc	5029.93	kPa	Joback Calculated Property
Inp	[766.00; 812.80]
Inp	809.00		NIST
Inp	812.80		NIST
Inp	766.00		NIST
Inp	809.00		NIST
I	[1563.00; 1563.00]
I	1563.00		NIST
I	1563.00		NIST
Tboil	[456.65; 469.65]	K
Tboil	463.65 ± 1.00	K	NIST
Tboil	463.65 ± 1.00	K	NIST
Tboil	469.65 ± 2.00	K	NIST
Tboil	456.65 ± 6.00	K	NIST
Tc	636.47	K	Joback Calculated Property
Tfus	241.48	K	Joback Calculated Property
Vc	0.291	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.31; 209.35]	J/mol×K	[474.84; 636.47]
Cp,gas	173.31	J/mol×K	474.84	Joback Calculated Property
Cp,gas	179.93	J/mol×K	501.78	Joback Calculated Property
Cp,gas	186.29	J/mol×K	528.72	Joback Calculated Property
Cp,gas	192.41	J/mol×K	555.66	Joback Calculated Property
Cp,gas	198.29	J/mol×K	582.59	Joback Calculated Property
Cp,gas	203.94	J/mol×K	609.53	Joback Calculated Property
Cp,gas	209.35	J/mol×K	636.47	Joback Calculated Property
η	[0.0001265; 0.6060212]	Pa×s	[241.48; 474.84]
η	0.6060212	Pa×s	241.48	Joback Calculated Property
η	0.0554139	Pa×s	280.37	Joback Calculated Property
η	0.0090753	Pa×s	319.27	Joback Calculated Property
η	0.0022017	Pa×s	358.16	Joback Calculated Property
η	0.0007050	Pa×s	397.05	Joback Calculated Property
η	0.0002766	Pa×s	435.95	Joback Calculated Property
η	0.0001265	Pa×s	474.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Butanediol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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