Chemical Properties of 4-Penten-1-ol (CAS 821-09-0)

InChI

InChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2

InChI Key

LQAVWYMTUMSFBE-UHFFFAOYSA-N

Formula

C5H10O

SMILES

C=CCCCO

Molecular Weight¹

86.13

CAS

821-09-0

Other Names

• 4-Pentene-1-ol
• 4-Pentenol
• 4-Pentenyl alcohol
• CH2=CHCH2CH2CH2OH
• Pent-4-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).
• 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	0.5700		Relay (1.0) Calculated Property
ΔfG°	-57.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-181.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.51	kJ/mol	Joback Calculated Property
ΔvapH°	55.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.42 ± 0.05	eV	NIST
log10WS	[-0.15; -0.15]
log10WS	-0.15		Aq. Solubility Prediction
log10WS	-0.15		Estimated Solubility
logPoct/wat	0.945		Crippen Calculated Property
McVol	82.880	ml/mol	McGowan Calculated Property
Pc	4088.15	kPa	Joback Calculated Property
Inp	[717.00; 764.00]
Inp	739.00		NIST
Inp	730.00		NIST
Inp	764.00		NIST
Inp	757.00		NIST
Inp	739.00		NIST
Inp	730.00		NIST
Inp	764.00		NIST
Inp	757.00		NIST
Inp	717.00		NIST
Inp	745.00		NIST
Inp	717.00		NIST
Ip	[1276.00; 1308.00]
Ip	1305.00		NIST
Ip	1305.00		NIST
Ip	1308.00		NIST
Ip	1305.00		NIST
Ip	1305.00		NIST
Ip	1308.00		NIST
Ip	1295.00		NIST
Ip	1297.00		NIST
Ip	Outlier 1276.00		NIST
Ip	1294.00		NIST
Ip	1299.00		NIST
Ip	1300.00		NIST
Ip	1282.00		NIST
Ip	1289.00		NIST
Ip	1295.00		NIST
Ip	1305.00		NIST
Ip	1308.00		NIST
Tboil	[408.00; 414.20]	K
Tboil	408.70	K	NIST
Tboil	414.20	K	NIST
Tboil	408.00 ± 3.00	K	NIST
Tboil	413.00 ± 5.00	K	NIST
Tc	607.02	K	Relay (1.0) Calculated Property
Tfus	185.20	K	Relay (1.0) Calculated Property
Vc	0.287	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[114.24; 267.44]	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			6.43000e-01
Coefficient B			4.92800e-01
Coefficient C			-3.01500e-04
Coefficient D			7.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	114.24	J/mol×K	273.00	Calculated Property
Cp,gas	140.59	J/mol×K	353.78	Calculated Property
Cp,gas	164.05	J/mol×K	434.56	Calculated Property
Cp,gas	184.86	J/mol×K	515.33	Calculated Property
Cp,gas	203.26	J/mol×K	596.11	Calculated Property
Cp,gas	219.49	J/mol×K	676.89	Calculated Property
Cp,gas	233.78	J/mol×K	757.67	Calculated Property
Cp,gas	246.38	J/mol×K	838.44	Calculated Property
Cp,gas	257.52	J/mol×K	919.22	Calculated Property
Cp,gas	267.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0992986; 0.0003183]	Pa×s	[205.17; 397.44]	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			-1.41811e+01
Coefficient B			2.43567e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			205.17
Temperature range, max.			397.44
η	0.0992986	Pa×s	205.17	Calculated Property
η	0.0324143	Pa×s	226.53	Calculated Property
η	0.0128330	Pa×s	247.90	Calculated Property
η	0.0058854	Pa×s	269.26	Calculated Property
η	0.0030269	Pa×s	290.62	Calculated Property
η	0.0017052	Pa×s	311.99	Calculated Property
η	0.0010339	Pa×s	333.35	Calculated Property
η	0.0006658	Pa×s	354.71	Calculated Property
η	0.0004508	Pa×s	376.07	Calculated Property
η	0.0003183	Pa×s	397.44	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.28; 202.65]	kPa	[287.34; 431.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59002e+01
Coefficient B			-3.99316e+03
Coefficient C			-5.47550e+01
Temperature range, min.			287.34
Temperature range, max.			431.87
Pvap	0.28	kPa	287.34	Calculated Property
Pvap	0.85	kPa	303.40	Calculated Property
Pvap	2.26	kPa	319.46	Calculated Property
Pvap	5.35	kPa	335.52	Calculated Property
Pvap	11.55	kPa	351.58	Calculated Property
Pvap	23.05	kPa	367.63	Calculated Property
Pvap	42.98	kPa	383.69	Calculated Property
Pvap	75.62	kPa	399.75	Calculated Property
Pvap	126.54	kPa	415.81	Calculated Property
Pvap	202.65	kPa	431.87	Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-1-ol.

Sources

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

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