Chemical Properties of 3-Buten-1-ol, 3-methyl- (CAS 763-32-6)

InChI

InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3

InChI Key

CPJRRXSHAYUTGL-UHFFFAOYSA-N

Formula

C5H10O

SMILES

C=C(C)CCO

Molecular Weight¹

86.13

CAS

763-32-6

Other Names

• 2-Methyl-1-buten-4-ol
• 3-Buten-3-methyl-1-ol
• 3-Isopentenyl alcohol
• 3-Methyl-3-buten-1-ol
• 3-Methyl-3-butene-1-ol
• 3-methyl-3-butenol
• 3-methylbut-3-en-1-ol
• Isobutenylcarbinol
• Isopropenylethyl alcohol
• Methallyl carbinol
• Methyl-3-but-3-en-1-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I_p : 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	0.5577		Relay (1.0) Calculated Property
ΔfH°gas	-208.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.20	kJ/mol	Joback Calculated Property
ΔvapH°	53.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-0.23		Relay (1.0) Calculated Property
logPoct/wat	0.945		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4114.41	kPa	Joback Calculated Property
Inp	[702.00; 757.00]
Inp	730.00		NIST
Inp	730.00		NIST
Inp	716.00		NIST
Inp	705.00		NIST
Inp	743.00		NIST
Inp	734.00		NIST
Inp	746.00		NIST
Inp	716.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	724.00		NIST
Inp	720.00		NIST
Inp	724.00		NIST
Inp	721.00		NIST
Inp	730.00		NIST
Inp	733.00		NIST
Inp	726.00		NIST
Inp	726.00		NIST
Inp	717.00		NIST
Inp	710.00		NIST
Inp	731.00		NIST
Inp	Outlier 757.00		NIST
Inp	742.00		NIST
Inp	715.00		NIST
Inp	735.00		NIST
Inp	730.00		NIST
Inp	736.00		NIST
Inp	737.00		NIST
Inp	730.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	702.00		NIST
Inp	702.00		NIST
Inp	711.00		NIST
Inp	710.00		NIST
Inp	745.00		NIST
Inp	730.00		NIST
Inp	721.00		NIST
Inp	717.00		NIST
Ip	[1221.00; 1277.00]
Ip	1274.00		NIST
Ip	1236.00		NIST
Ip	1245.00		NIST
Ip	1244.00		NIST
Ip	1236.00		NIST
Ip	1250.00		NIST
Ip	1240.00		NIST
Ip	1250.00		NIST
Ip	1250.00		NIST
Ip	1246.00		NIST
Ip	1247.00		NIST
Ip	1236.00		NIST
Ip	1237.00		NIST
Ip	1263.00		NIST
Ip	1240.00		NIST
Ip	1240.00		NIST
Ip	1235.00		NIST
Ip	1240.00		NIST
Ip	1226.00		NIST
Ip	1230.00		NIST
Ip	Outlier 1277.00		NIST
Ip	1225.00		NIST
Ip	1237.00		NIST
Ip	1244.00		NIST
Ip	1254.00		NIST
Ip	1255.00		NIST
Ip	1256.00		NIST
Ip	1245.00		NIST
Ip	1272.00		NIST
Ip	1242.00		NIST
Ip	1253.00		NIST
Ip	1254.00		NIST
Ip	1254.00		NIST
Ip	1274.00		NIST
Ip	1264.00		NIST
Ip	1240.00		NIST
Ip	1264.00		NIST
Ip	1264.00		NIST
Ip	1232.00		NIST
Ip	1248.00		NIST
Ip	1262.00		NIST
Ip	1269.00		NIST
Ip	1248.00		NIST
Ip	1248.00		NIST
Ip	1251.00		NIST
Ip	1239.00		NIST
Ip	1242.00		NIST
Ip	1232.00		NIST
Ip	1264.00		NIST
Ip	1263.00		NIST
Ip	Outlier 1277.00		NIST
Ip	1255.00		NIST
Ip	1267.00		NIST
Ip	1255.00		NIST
Ip	1255.00		NIST
Ip	1258.00		NIST
Ip	1264.00		NIST
Ip	1272.00		NIST
Ip	1274.00		NIST
Ip	Outlier 1221.00		NIST
Ip	1253.00		NIST
Ip	1237.00		NIST
Ip	1236.00		NIST
Ip	1248.00		NIST
Ip	1247.00		NIST
Ip	1240.00		NIST
Ip	1241.00		NIST
Ip	1237.00		NIST
Ip	1244.00		NIST
Ip	1245.00		NIST
Ip	1244.00		NIST
Ip	1272.00		NIST
Ip	1274.00		NIST
Ip	1232.00		NIST
Ip	1248.00		NIST
Tboil	400.02	K	Relay (1.0) Calculated Property
Tc	592.36	K	Relay (1.0) Calculated Property
Tfus	172.85	K	Relay (1.0) Calculated Property
Vc	0.287	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.40; 267.17]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.52000e-01
Coefficient B			4.92720e-01
Coefficient C			-3.03800e-04
Coefficient D			7.73000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.40	J/mol×K	273.00	Calculated Property
Cp,gas	140.66	J/mol×K	353.78	Calculated Property
Cp,gas	164.04	J/mol×K	434.56	Calculated Property
Cp,gas	184.77	J/mol×K	515.33	Calculated Property
Cp,gas	203.09	J/mol×K	596.11	Calculated Property
Cp,gas	219.25	J/mol×K	676.89	Calculated Property
Cp,gas	233.49	J/mol×K	757.67	Calculated Property
Cp,gas	246.06	J/mol×K	838.44	Calculated Property
Cp,gas	257.21	J/mol×K	919.22	Calculated Property
Cp,gas	267.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[307.06; 417.66]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68296e+01
Coefficient B			-4.19434e+03
Coefficient C			-5.35040e+01
Temperature range, min.			307.06
Temperature range, max.			417.66
Pvap	1.33	kPa	307.06	Calculated Property
Pvap	2.86	kPa	319.35	Calculated Property
Pvap	5.75	kPa	331.64	Calculated Property
Pvap	10.89	kPa	343.93	Calculated Property
Pvap	19.56	kPa	356.22	Calculated Property
Pvap	33.59	kPa	368.50	Calculated Property
Pvap	55.38	kPa	380.79	Calculated Property
Pvap	88.06	kPa	393.08	Calculated Property
Pvap	135.55	kPa	405.37	Calculated Property
Pvap	202.68	kPa	417.66	Calculated Property

Similar Compounds

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

Mixtures

• 3-Buten-1-ol, 3-methyl- + Propane
• 3-Buten-1-ol, 3-methyl- + Propene
• 3-Buten-1-ol, 3-methyl- + Butane
• 3-Buten-1-ol, 3-methyl- + Isobutane
• 3-Buten-1-ol, 3-methyl- + 1-Butene
• 3-Buten-1-ol, 3-methyl- + 1-Propene, 2-methyl-
• 3-Buten-1-ol, 3-methyl- + 2-Butene, (E)-
• 3-Buten-1-ol, 3-methyl- + 2-Butene, (Z)-
• 3-Buten-1-ol, 3-methyl- + 1,3-Butadiene
• 3-Buten-1-ol, 3-methyl- + Dimethyl ether
• 3-Buten-1-ol, 3-methyl- + Ethyl Chloride
• 3-Buten-1-ol, 3-methyl- + Ethane, 1,1-difluoro-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Henry s Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Methyl-3-buten-2-ol and 3-Methyl-3-buten-1-ol
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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