Chemical Properties of 3-Buten-1-ol, 2-methyl- (CAS 4516-90-9)

InChI

InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3

InChI Key

NVGOATMUHKIQQG-UHFFFAOYSA-N

Formula

C5H10O

SMILES

C=CC(C)CO

Molecular Weight¹

86.13

CAS

4516-90-9

Other Names

• 2-Methyl-3-buten-1-ol
• 2-Methyl-3-butene-1-ol
• 2-Methyl-but-3-en-1-ol

• 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.
• 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°	-60.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-178.61	kJ/mol	Joback Calculated Property
ΔfusH°	7.99	kJ/mol	Joback Calculated Property
ΔvapH°	42.34	kJ/mol	Joback Calculated Property
log10WS	-0.79		Crippen Calculated Property
logPoct/wat	0.801		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4130.29	kPa	Joback Calculated Property
Inp	[778.00; 778.00]
Inp	778.00		NIST
Inp	778.00		NIST
Tboil	402.22	K	Joback Calculated Property
Tc	570.76	K	Joback Calculated Property
Tfus	190.17	K	Joback Calculated Property
Vc	0.309	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.14; 198.29]	J/mol×K	[402.22; 570.76]
Cp,gas	155.14	J/mol×K	402.22	Joback Calculated Property
Cp,gas	163.12	J/mol×K	430.31	Joback Calculated Property
Cp,gas	170.77	J/mol×K	458.40	Joback Calculated Property
Cp,gas	178.10	J/mol×K	486.49	Joback Calculated Property
Cp,gas	185.13	J/mol×K	514.58	Joback Calculated Property
Cp,gas	191.86	J/mol×K	542.67	Joback Calculated Property
Cp,gas	198.29	J/mol×K	570.76	Joback Calculated Property
η	[0.0002843; 0.2702616]	Pa×s	[190.17; 402.22]
η	0.2702616	Pa×s	190.17	Joback Calculated Property
η	0.0351986	Pa×s	225.51	Joback Calculated Property
η	0.0079642	Pa×s	260.85	Joback Calculated Property
η	0.0025691	Pa×s	296.19	Joback Calculated Property
η	0.0010548	Pa×s	331.54	Joback Calculated Property
η	0.0005141	Pa×s	366.88	Joback Calculated Property
η	0.0002843	Pa×s	402.22	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[298.52; 416.16]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58989e+01
Coefficient B			-3.87055e+03
Coefficient C			-5.05850e+01
Temperature range, min.			298.52
Temperature range, max.			416.16
Pvap	1.33	kPa	298.52	Calculated Property
Pvap	2.91	kPa	311.59	Calculated Property
Pvap	5.91	kPa	324.66	Calculated Property
Pvap	11.24	kPa	337.73	Calculated Property
Pvap	20.22	kPa	350.80	Calculated Property
Pvap	34.62	kPa	363.88	Calculated Property
Pvap	56.78	kPa	376.95	Calculated Property
Pvap	89.65	kPa	390.02	Calculated Property
Pvap	136.83	kPa	403.09	Calculated Property
Pvap	202.63	kPa	416.16	Calculated Property

Similar Compounds

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

Sources

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

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