Chemical Properties of Prenol (CAS 556-82-1)

InChI

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

InChI Key

ASUAYTHWZCLXAN-UHFFFAOYSA-N

Formula

C5H10O

SMILES

CC(C)=CCO

Molecular Weight¹

86.13

CAS

556-82-1

Other Names

• 2-Buten-1-ol, 3-methyl-
• 2-Butenol, 3-methyl
• 3,3-Dimethylallyl alcohol
• 3-Methyl-2-buten-1-ol
• 3-Methyl-2-butene-1-ol
• 3-Methyl-2-butenol
• 3-Methyl-2-butenyl alcohol
• 3-Methylbut-2-en-1-ol
• 3-Methylcrotyl alcohol
• Dimethylallyl alcohol
• Methyl-3-but-2-en-1-ol
• NSC 158709
• Prenyl alcohol
• «gamma»,«gamma»-Dimethylallyl alcohol
• «gamma»,«gamma»-Dimethylallyl alcohol

• 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°	-73.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-191.33	kJ/mol	Joback Calculated Property
ΔfusH°	11.69	kJ/mol	Joback Calculated Property
ΔvapH°	43.44	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	4167.71	kPa	Joback Calculated Property
Inp	[732.00; 800.00]
Inp	779.00		NIST
Inp	785.60		NIST
Inp	778.00		NIST
Inp	779.00		NIST
Inp	778.00		NIST
Inp	770.00		NIST
Inp	756.00		NIST
Inp	777.00		NIST
Inp	779.00		NIST
Inp	Outlier 800.00		NIST
Inp	772.00		NIST
Inp	772.00		NIST
Inp	Outlier 798.00		NIST
Inp	784.10		NIST
Inp	770.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	762.00		NIST
Inp	770.00		NIST
Inp	778.00		NIST
Inp	770.00		NIST
Inp	778.00		NIST
Inp	765.00		NIST
Inp	772.00		NIST
Inp	772.00		NIST
Inp	781.00		NIST
Inp	773.00		NIST
Inp	765.00		NIST
Inp	773.00		NIST
Inp	778.00		NIST
Inp	775.00		NIST
Inp	786.60		NIST
Inp	779.00		NIST
Inp	772.00		NIST
Inp	778.00		NIST
Inp	779.00		NIST
Inp	752.00		NIST
Inp	776.00		NIST
Inp	751.00		NIST
Inp	752.00		NIST
Inp	752.00		NIST
Inp	752.00		NIST
Inp	753.00		NIST
Inp	774.00		NIST
Inp	774.00		NIST
Inp	756.00		NIST
Inp	779.00		NIST
Inp	Outlier 732.00		NIST
Inp	789.00		NIST
Inp	779.00		NIST
Inp	770.00		NIST
Inp	789.00		NIST
Inp	749.00		NIST
Inp	763.00		NIST
Inp	Outlier 743.00		NIST
Inp	779.00		NIST
Inp	770.00		NIST
Inp	772.00		NIST
I	[1277.00; 1353.00]
I	1323.00		NIST
I	1325.00		NIST
I	1318.00		NIST
I	1301.00		NIST
I	1316.00		NIST
I	1313.00		NIST
I	Outlier 1281.00		NIST
I	1322.00		NIST
I	1330.00		NIST
I	1321.00		NIST
I	1310.00		NIST
I	1320.00		NIST
I	1324.00		NIST
I	Outlier 1353.00		NIST
I	1315.00		NIST
I	1315.00		NIST
I	1317.00		NIST
I	Outlier 1277.00		NIST
I	1301.00		NIST
I	1318.00		NIST
I	1320.00		NIST
I	1319.00		NIST
I	1328.00		NIST
I	Outlier 1277.00		NIST
I	1337.00		NIST
I	Outlier 1282.00		NIST
I	1337.00		NIST
I	1339.00		NIST
I	1337.00		NIST
I	1327.00		NIST
I	1317.00		NIST
I	1328.00		NIST
I	1311.00		NIST
I	1302.00		NIST
I	1334.00		NIST
I	1346.00		NIST
I	1325.00		NIST
I	1325.00		NIST
I	1309.00		NIST
I	1327.00		NIST
I	Outlier 1277.00		NIST
I	1320.00		NIST
I	1327.00		NIST
I	1328.00		NIST
Tboil	413.20	K	NIST
Tc	582.88	K	Joback Calculated Property
Tfus	187.89	K	Joback Calculated Property
Vc	0.316	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.28; 197.63]	J/mol×K	[410.02; 582.88]
Cp,gas	154.28	J/mol×K	410.02	Joback Calculated Property
Cp,gas	162.38	J/mol×K	438.83	Joback Calculated Property
Cp,gas	170.11	J/mol×K	467.64	Joback Calculated Property
Cp,gas	177.48	J/mol×K	496.45	Joback Calculated Property
Cp,gas	184.52	J/mol×K	525.26	Joback Calculated Property
Cp,gas	191.23	J/mol×K	554.07	Joback Calculated Property
Cp,gas	197.63	J/mol×K	582.88	Joback Calculated Property
ΔvapH	48.70	kJ/mol	360.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[314.12; 436.58]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59002e+01
Coefficient B			-4.02983e+03
Coefficient C			-5.60060e+01
Temperature range, min.			314.12
Temperature range, max.			436.58
Pvap	1.33	kPa	314.12	Calculated Property
Pvap	2.91	kPa	327.73	Calculated Property
Pvap	5.91	kPa	341.33	Calculated Property
Pvap	11.24	kPa	354.94	Calculated Property
Pvap	20.22	kPa	368.55	Calculated Property
Pvap	34.62	kPa	382.15	Calculated Property
Pvap	56.78	kPa	395.76	Calculated Property
Pvap	89.65	kPa	409.37	Calculated Property
Pvap	136.84	kPa	422.97	Calculated Property
Pvap	202.63	kPa	436.58	Calculated Property

Similar Compounds

Find more compounds similar to Prenol.

Sources

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

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