Chemical Properties of 2-Butene-1,4-diol (CAS 110-64-5)

InChI

InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2

InChI Key

ORTVZLZNOYNASJ-UHFFFAOYSA-N

Formula

C4H8O2

SMILES

OCC=CCO

Molecular Weight¹

88.11

CAS

110-64-5

Other Names

• 1,4-Butenediol
• 1,4-Dihydroxy-2-butene
• 2-Buten-1,4-diol
• 2-Butene, 1,4-dihydroxy-
• 2-Butene-1,4-diol,c&t
• Butenediol
• but-2-ene-1,4-diol

• 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).
• 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_boilr : Boiling point at reduced pressure (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°	-210.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-313.13	kJ/mol	Joback Calculated Property
ΔfusH°	14.49	kJ/mol	Joback Calculated Property
ΔvapH°	57.81	kJ/mol	Joback Calculated Property
log10WS	0.12		Crippen Calculated Property
logPoct/wat	-0.473		Crippen Calculated Property
McVol	74.660	ml/mol	McGowan Calculated Property
Pc	5359.18	kPa	Joback Calculated Property
Inp	[911.00; 960.00]
Inp	911.00		NIST
Inp	960.00		NIST
Inp	911.00		NIST
I	1983.00		NIST
Tboil	479.44	K	Joback Calculated Property
Tc	644.82	K	Joback Calculated Property
Tfus	251.40	K	Joback Calculated Property
Vc	0.278	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.46; 186.90]	J/mol×K	[479.44; 644.82]
Cp,gas	155.46	J/mol×K	479.44	Joback Calculated Property
Cp,gas	161.35	J/mol×K	507.00	Joback Calculated Property
Cp,gas	166.95	J/mol×K	534.57	Joback Calculated Property
Cp,gas	172.30	J/mol×K	562.13	Joback Calculated Property
Cp,gas	177.40	J/mol×K	589.69	Joback Calculated Property
Cp,gas	182.26	J/mol×K	617.25	Joback Calculated Property
Cp,gas	186.90	J/mol×K	644.82	Joback Calculated Property
η	[0.0001049; 0.2463890]	Pa×s	[251.40; 479.44]
η	0.2463890	Pa×s	251.40	Joback Calculated Property
η	0.0289003	Pa×s	289.41	Joback Calculated Property
η	0.0055752	Pa×s	327.41	Joback Calculated Property
η	0.0015145	Pa×s	365.42	Joback Calculated Property
η	0.0005259	Pa×s	403.43	Joback Calculated Property
η	0.0002191	Pa×s	441.43	Joback Calculated Property
η	0.0001049	Pa×s	479.44	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[310.49; 511.20]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.17161e+01
Coefficient B			-2.92436e+03
Coefficient C			-5.46040e+01
Temperature range, min.			310.49
Temperature range, max.			511.20
Pvap	1.33	kPa	310.49	Calculated Property
Pvap	3.33	kPa	332.79	Calculated Property
Pvap	7.27	kPa	355.09	Calculated Property
Pvap	14.25	kPa	377.39	Calculated Property
Pvap	25.58	kPa	399.69	Calculated Property
Pvap	42.79	kPa	422.00	Calculated Property
Pvap	67.48	kPa	444.30	Calculated Property
Pvap	101.30	kPa	466.60	Calculated Property
Pvap	145.84	kPa	488.90	Calculated Property
Pvap	202.64	kPa	511.20	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene-1,4-diol.

Sources

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

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