Chemical Properties of 3-Buten-2-ol, 3-methyl- (CAS 10473-14-0)

InChI

InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3

InChI Key

JEYLKNVLTAPJAF-UHFFFAOYSA-N

Formula

C5H10O

SMILES

C=C(C)C(C)O

Molecular Weight¹

86.13

CAS

10473-14-0

Other Names

• 2-Methyl-1-buten-3-ol
• 3-Methyl-3-buten-2-ol
• CH2=C(CH3)CH(OH)CH3
• Methyl isopropenyl carbinol

• 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	0.4800		Relay (1.0) Calculated Property
ΔfG°	-68.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-226.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.68	kJ/mol	Joback Calculated Property
ΔvapH°	49.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	NIST
log10WS	-0.12		Relay (1.0) Calculated Property
logPoct/wat	0.943		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4156.97	kPa	Joback Calculated Property
Inp	[673.00; 737.00]
Inp	673.00		NIST
Inp	737.00		NIST
Tboil	384.73	K	Relay (1.0) Calculated Property
Tc	535.98	K	Relay (1.0) Calculated Property
Tfus	209.83	K	Relay (1.0) Calculated Property
Vc	0.312	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.13; 198.84]	J/mol×K	[402.10; 573.89]
Cp,gas	155.13	J/mol×K	402.10	Joback Calculated Property
Cp,gas	163.23	J/mol×K	430.73	Joback Calculated Property
Cp,gas	170.99	J/mol×K	459.36	Joback Calculated Property
Cp,gas	178.42	J/mol×K	487.99	Joback Calculated Property
Cp,gas	185.53	J/mol×K	516.62	Joback Calculated Property
Cp,gas	192.33	J/mol×K	545.26	Joback Calculated Property
Cp,gas	198.84	J/mol×K	573.89	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.03; 202.63]	kPa	[287.34; 422.95]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46215e+01
Coefficient B			-3.48916e+03
Coefficient C			-4.81800e+01
Temperature range, min.			287.34
Temperature range, max.			422.95
Pvap	1.03	kPa	287.34	Calculated Property
Pvap	2.45	kPa	302.41	Calculated Property
Pvap	5.29	kPa	317.48	Calculated Property
Pvap	10.50	kPa	332.54	Calculated Property
Pvap	19.47	kPa	347.61	Calculated Property
Pvap	34.03	kPa	362.68	Calculated Property
Pvap	56.51	kPa	377.75	Calculated Property
Pvap	89.77	kPa	392.81	Calculated Property
Pvap	137.19	kPa	407.88	Calculated Property
Pvap	202.63	kPa	422.95	Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-2-ol, 3-methyl-.

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.