Chemical Properties of 2,3-Butadien-1-ol (CAS 18913-31-0)

InChI

InChI=1S/C4H6O/c1-2-3-4-5/h3,5H,1,4H2

InChI Key

JXKCVRNKAPHWJG-UHFFFAOYSA-N

Formula

C4H6O

SMILES

C=C=CCO

Molecular Weight¹

70.09

CAS

18913-31-0

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• I_np : Non-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
ω	0.5160		Relay (... Calculated Property
ΔfG°	62.10	kJ/mol	Joback Calculated Property
ΔfH°gas	17.37	kJ/mol	Relay (... Calculated Property
ΔfusH°	11.05	kJ/mol	Joback Calculated Property
ΔvapH°	51.51	kJ/mol	Relay (... Calculated Property
IE	[8.74; 8.74]	eV
IE	8.74	eV	NIST
IE	8.74	eV	NIST
log10WS	1.03		Relay (... Calculated Property
logPoct/wat	0.320		Crippen Calculated Property
McVol	64.490	ml/mol	McGowan Calculated Property
Pc	5281.57	kPa	Joback Calculated Property
Inp	[663.00; 663.00]
Inp	663.00		NIST
Inp	663.00		NIST
Tboil	390.46	K	Relay (... Calculated Property
Tc	602.68	K	Relay (... Calculated Property
Tfus	195.92	K	Relay (... Calculated Property
Vc	0.217	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.14; 139.60]	J/mol×K	[383.05; 558.99]
Cp,gas	111.14	J/mol×K	383.05	Joback Calculated Property
Cp,gas	116.27	J/mol×K	412.37	Joback Calculated Property
Cp,gas	121.24	J/mol×K	441.70	Joback Calculated Property
Cp,gas	126.06	J/mol×K	471.02	Joback Calculated Property
Cp,gas	130.73	J/mol×K	500.34	Joback Calculated Property
Cp,gas	135.24	J/mol×K	529.67	Joback Calculated Property
Cp,gas	139.60	J/mol×K	558.99	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 2805.28]	kPa	[305.32; 384.33]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			3.23936e+01
Coefficient B			-8.10714e+03
Coefficient C			-5.28090e+01
Temperature range, min.			305.32
Temperature range, max.			384.33
Pvap	1.33	kPa	305.32	Calculated Property
Pvap	3.92	kPa	314.10	Calculated Property
Pvap	10.75	kPa	322.88	Calculated Property
Pvap	27.66	kPa	331.66	Calculated Property
Pvap	67.17	kPa	340.44	Calculated Property
Pvap	154.80	kPa	349.21	Calculated Property
Pvap	339.99	kPa	357.99	Calculated Property
Pvap	714.58	kPa	366.77	Calculated Property
Pvap	1442.42	kPa	375.55	Calculated Property
Pvap	2805.28	kPa	384.33	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Butadien-1-ol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.