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

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I : 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
ΔfG°	-66.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-183.12	kJ/mol	Joback Calculated Property
ΔfusH°	10.20	kJ/mol	Joback Calculated Property
ΔvapH°	42.81	kJ/mol	Joback Calculated Property
log10WS	-1.03		Crippen 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
I	[1221.00; 1277.00]
I	1274.00		NIST
I	1236.00		NIST
I	1245.00		NIST
I	1244.00		NIST
I	1236.00		NIST
I	1250.00		NIST
I	1240.00		NIST
I	1250.00		NIST
I	1250.00		NIST
I	1246.00		NIST
I	1247.00		NIST
I	1236.00		NIST
I	1237.00		NIST
I	1263.00		NIST
I	1240.00		NIST
I	1240.00		NIST
I	1235.00		NIST
I	1240.00		NIST
I	1226.00		NIST
I	1230.00		NIST
I	Outlier 1277.00		NIST
I	1225.00		NIST
I	1237.00		NIST
I	1244.00		NIST
I	1254.00		NIST
I	1255.00		NIST
I	1256.00		NIST
I	1245.00		NIST
I	1272.00		NIST
I	1242.00		NIST
I	1253.00		NIST
I	1254.00		NIST
I	1254.00		NIST
I	1274.00		NIST
I	1264.00		NIST
I	1240.00		NIST
I	1264.00		NIST
I	1264.00		NIST
I	1232.00		NIST
I	1248.00		NIST
I	1262.00		NIST
I	1269.00		NIST
I	1248.00		NIST
I	1248.00		NIST
I	1251.00		NIST
I	1239.00		NIST
I	1242.00		NIST
I	1232.00		NIST
I	1264.00		NIST
I	1263.00		NIST
I	Outlier 1277.00		NIST
I	1255.00		NIST
I	1267.00		NIST
I	1255.00		NIST
I	1255.00		NIST
I	1258.00		NIST
I	1264.00		NIST
I	1272.00		NIST
I	1274.00		NIST
I	Outlier 1221.00		NIST
I	1253.00		NIST
I	1237.00		NIST
I	1236.00		NIST
I	1248.00		NIST
I	1247.00		NIST
I	1240.00		NIST
I	1241.00		NIST
I	1237.00		NIST
I	1244.00		NIST
I	1245.00		NIST
I	1244.00		NIST
I	1272.00		NIST
I	1274.00		NIST
I	1232.00		NIST
I	1248.00		NIST
Tboil	402.54	K	Joback Calculated Property
Tc	570.51	K	Joback Calculated Property
Tfus	191.21	K	Joback Calculated Property
Vc	0.317	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.11; 197.53]	J/mol×K	[402.54; 570.51]
Cp,gas	155.11	J/mol×K	402.54	Joback Calculated Property
Cp,gas	162.94	J/mol×K	430.53	Joback Calculated Property
Cp,gas	170.46	J/mol×K	458.53	Joback Calculated Property
Cp,gas	177.66	J/mol×K	486.52	Joback Calculated Property
Cp,gas	184.57	J/mol×K	514.52	Joback Calculated Property
Cp,gas	191.19	J/mol×K	542.51	Joback Calculated Property
Cp,gas	197.53	J/mol×K	570.51	Joback Calculated Property
ΔvapH	55.60	kJ/mol	373.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[307.06; 417.66]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.