Chemical Properties of 2-Penten-1-ol, (E)- (CAS 1576-96-1)

InChI

InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3+

InChI Key

BTSIZIIPFNVMHF-ONEGZZNKSA-N

Formula

C5H10O

SMILES

CCC=CCO

Molecular Weight¹

86.13

CAS

1576-96-1

Other Names

• 2-(E)-Penten-1-ol
• (E)-2-Penten-1-ol
• (E)-2-Pentenol
• Pent-2(E)-enol
• trans-2-Pentenol
• (E)-pent-2-en-1-ol

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical 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
ω	0.5241		Relay (1.0) Calculated Property
ΔfG°	-65.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.00	kJ/mol	Joback Calculated Property
ΔvapH°	57.65	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	0.945		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4140.93	kPa	Joback Calculated Property
Inp	[744.00; 780.00]
Inp	769.00		NIST
Inp	769.00		NIST
Inp	780.00		NIST
Inp	750.00		NIST
Inp	744.00		NIST
Inp	744.00		NIST
Inp	759.00		NIST
Inp	744.00		NIST
Inp	780.00		NIST
Inp	750.00		NIST
Inp	769.00		NIST
I	[1295.00; 1343.00]
I	1303.00		NIST
I	1302.00		NIST
I	1302.00		NIST
I	1301.00		NIST
I	1306.00		NIST
I	1310.00		NIST
I	1316.00		NIST
I	1306.00		NIST
I	1318.00		NIST
I	1322.00		NIST
I	1316.00		NIST
I	1317.00		NIST
I	1327.00		NIST
I	1319.00		NIST
I	1335.00		NIST
I	Outlier 1338.00		NIST
I	1303.00		NIST
I	1321.00		NIST
I	1321.00		NIST
I	1300.00		NIST
I	1305.00		NIST
I	1325.00		NIST
I	1303.00		NIST
I	1321.00		NIST
I	1307.00		NIST
I	1316.00		NIST
I	1298.00		NIST
I	1302.00		NIST
I	1318.00		NIST
I	Outlier 1343.00		NIST
I	1313.00		NIST
I	1311.00		NIST
I	1302.00		NIST
I	1299.00		NIST
I	1302.00		NIST
I	1309.00		NIST
I	1307.00		NIST
I	1306.00		NIST
I	1315.00		NIST
I	1320.00		NIST
I	1306.00		NIST
I	1313.00		NIST
I	1333.00		NIST
I	1295.00		NIST
I	1297.00		NIST
I	1309.00		NIST
I	1306.00		NIST
I	1333.00		NIST
I	1335.00		NIST
I	1300.00		NIST
Tboil	404.75	K	Relay (1.0) Calculated Property
Tc	594.10	K	Relay (1.0) Calculated Property
Tfus	196.13	K	Relay (1.0) Calculated Property
Vc	0.292	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[110.05; 265.37]	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			-1.05480e+01
Coefficient B			5.32820e-01
Coefficient C			-3.62400e-04
Coefficient D			1.05500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	110.05	J/mol×K	273.00	Calculated Property
Cp,gas	137.27	J/mol×K	353.78	Calculated Property
Cp,gas	161.21	J/mol×K	434.56	Calculated Property
Cp,gas	182.23	J/mol×K	515.33	Calculated Property
Cp,gas	200.64	J/mol×K	596.11	Calculated Property
Cp,gas	216.79	J/mol×K	676.89	Calculated Property
Cp,gas	231.00	J/mol×K	757.67	Calculated Property
Cp,gas	243.61	J/mol×K	838.44	Calculated Property
Cp,gas	254.96	J/mol×K	919.22	Calculated Property
Cp,gas	265.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1185690; 0.0002477]	Pa×s	[201.85; 406.02]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.44041e+01
Coefficient B			2.47707e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			201.85
Temperature range, max.			406.02
η	0.1185690	Pa×s	201.85	Calculated Property
η	0.0343162	Pa×s	224.54	Calculated Property
η	0.0124696	Pa×s	247.22	Calculated Property
η	0.0053717	Pa×s	269.91	Calculated Property
η	0.0026368	Pa×s	292.59	Calculated Property
η	0.0014339	Pa×s	315.28	Calculated Property
η	0.0008462	Pa×s	337.96	Calculated Property
η	0.0005337	Pa×s	360.65	Calculated Property
η	0.0003554	Pa×s	383.34	Calculated Property
η	0.0002477	Pa×s	406.02	Calculated Property

Similar Compounds

Find more compounds similar to 2-Penten-1-ol, (E)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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