Chemical Properties of 1-Penten-3-ol, 3-methyl- (CAS 918-85-4)

InChI

InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3

InChI Key

HFYAEUXHCMTPOL-UHFFFAOYSA-N

Formula

C6H12O

SMILES

C=CC(C)(O)CC

Molecular Weight¹

100.16

CAS

918-85-4

Other Names

• (.+/-.)-3-Methyl-1-penten-3-ol
• 3-Methyl-1-penten-3-ol
• 3-Methyl-penten-(1)-ol-(3)
• 3-methylpent-1-en-3-ol
• Ethylbutenol
• Methylethylvinylcarbinol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.59; 247.14]	J/mol×K	[422.51; 597.07]
Cp,gas	194.59	J/mol×K	422.51	Joback Calculated Property
Cp,gas	204.59	J/mol×K	451.60	Joback Calculated Property
Cp,gas	214.06	J/mol×K	480.70	Joback Calculated Property
Cp,gas	223.03	J/mol×K	509.79	Joback Calculated Property
Cp,gas	231.52	J/mol×K	538.88	Joback Calculated Property
Cp,gas	239.54	J/mol×K	567.97	Joback Calculated Property
Cp,gas	247.14	J/mol×K	597.07	Joback Calculated Property
η	[0.0002729; 0.1218411]	Pa×s	[218.86; 422.51]
η	0.1218411	Pa×s	218.86	Joback Calculated Property
η	0.0222692	Pa×s	252.80	Joback Calculated Property
η	0.0060862	Pa×s	286.74	Joback Calculated Property
η	0.0021890	Pa×s	320.69	Joback Calculated Property
η	0.0009575	Pa×s	354.63	Joback Calculated Property
η	0.0004839	Pa×s	388.57	Joback Calculated Property
η	0.0002729	Pa×s	422.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.30; 202.64]	kPa	[295.70; 413.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58994e+01
Coefficient B			-3.84626e+03
Coefficient C			-4.97510e+01
Temperature range, min.			295.70
Temperature range, max.			413.02
Pvap	1.30	kPa	295.70	Calculated Property
Pvap	2.85	kPa	308.74	Calculated Property
Pvap	5.81	kPa	321.77	Calculated Property
Pvap	11.09	kPa	334.81	Calculated Property
Pvap	20.01	kPa	347.84	Calculated Property
Pvap	34.36	kPa	360.88	Calculated Property
Pvap	56.49	kPa	373.91	Calculated Property
Pvap	89.37	kPa	386.95	Calculated Property
Pvap	136.64	kPa	399.98	Calculated Property
Pvap	202.64	kPa	413.02	Calculated Property

Similar Compounds

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

Sources

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

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