Chemical Properties of 2-Penten-1-ol, (Z)- (CAS 1576-95-0)

InChI

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

InChI Key

BTSIZIIPFNVMHF-ARJAWSKDSA-N

Formula

C5H10O

SMILES

CC/C=C\CO

Molecular Weight¹

86.13

CAS

1576-95-0

Other Names

• (2Z)-2-Penten-1-ol
• (Z)-2-Pentenol
• (Z)-Pent-2-en-1-ol
• (Z)-Pent-2-enol
• 2-(Z)-pentenol
• Pent-2(Z)-enol
• cis-2-Penten-1-ol
• cis-2-Pentenol
• cis-Pent-2-en-1-ol
• cis-pent-2-ene-1-ol
• (Z)-2-Penten-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).
• 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	0.5249		Relay (1.0) Calculated Property
ΔfG°	-65.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-198.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.00	kJ/mol	Joback Calculated Property
ΔvapH°	56.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	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	[734.00; 782.70]
Inp	765.00		NIST
Inp	765.00		NIST
Inp	746.00		NIST
Inp	744.00		NIST
Inp	764.00		NIST
Inp	768.00		NIST
Inp	750.00		NIST
Inp	743.00		NIST
Inp	769.00		NIST
Inp	769.00		NIST
Inp	746.00		NIST
Inp	767.00		NIST
Inp	751.00		NIST
Inp	740.00		NIST
Inp	769.00		NIST
Inp	767.00		NIST
Inp	736.00		NIST
Inp	734.00		NIST
Inp	760.00		NIST
Inp	780.50		NIST
Inp	780.00		NIST
Inp	765.00		NIST
Inp	774.00		NIST
Inp	768.00		NIST
Inp	771.00		NIST
Inp	782.70		NIST
Inp	767.00		NIST
Inp	748.00		NIST
Inp	740.00		NIST
Inp	749.00		NIST
Inp	749.00		NIST
Inp	746.00		NIST
Inp	747.00		NIST
Inp	750.00		NIST
Inp	753.00		NIST
Inp	763.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	748.00		NIST
Inp	768.00		NIST
Inp	746.00		NIST
Inp	767.00		NIST
Inp	765.00		NIST
Inp	780.50		NIST
Ip	[1287.00; 1349.00]
Ip	1324.00		NIST
Ip	1317.00		NIST
Ip	1326.00		NIST
Ip	1335.00		NIST
Ip	1321.00		NIST
Ip	1320.00		NIST
Ip	1322.00		NIST
Ip	1317.00		NIST
Ip	1325.00		NIST
Ip	Outlier 1288.00		NIST
Ip	1304.00		NIST
Ip	1311.00		NIST
Ip	1305.00		NIST
Ip	1313.00		NIST
Ip	1321.00		NIST
Ip	1310.00		NIST
Ip	1334.00		NIST
Ip	1314.00		NIST
Ip	1310.00		NIST
Ip	1302.00		NIST
Ip	1314.00		NIST
Ip	1329.00		NIST
Ip	1310.00		NIST
Ip	1336.00		NIST
Ip	1310.00		NIST
Ip	1323.00		NIST
Ip	1317.00		NIST
Ip	1332.00		NIST
Ip	1309.00		NIST
Ip	1332.00		NIST
Ip	1325.00		NIST
Ip	1331.00		NIST
Ip	1320.00		NIST
Ip	1320.00		NIST
Ip	1337.00		NIST
Ip	1318.00		NIST
Ip	1320.00		NIST
Ip	1322.00		NIST
Ip	1320.00		NIST
Ip	1321.00		NIST
Ip	1314.00		NIST
Ip	1324.00		NIST
Ip	1313.00		NIST
Ip	1327.00		NIST
Ip	1326.00		NIST
Ip	Outlier 1349.00		NIST
Ip	1310.00		NIST
Ip	1314.00		NIST
Ip	1321.00		NIST
Ip	1318.00		NIST
Ip	1312.00		NIST
Ip	1323.00		NIST
Ip	1296.00		NIST
Ip	1308.00		NIST
Ip	1296.00		NIST
Ip	1296.00		NIST
Ip	1296.00		NIST
Ip	1317.00		NIST
Ip	1314.00		NIST
Ip	1323.00		NIST
Ip	1324.00		NIST
Ip	1329.00		NIST
Ip	1320.00		NIST
Ip	1314.00		NIST
Ip	1321.00		NIST
Ip	1334.00		NIST
Ip	Outlier 1287.00		NIST
Ip	Outlier 1288.00		NIST
Ip	1317.00		NIST
Ip	1322.00		NIST
Ip	1317.00		NIST
Tboil	411.20	K	NIST
Tc	593.06	K	Relay (1.0) Calculated Property
Tfus	189.60	K	Relay (1.0) Calculated Property
Vc	0.291	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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[312.52; 434.49]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58997e+01
Coefficient B			-4.01335e+03
Coefficient C			-5.54500e+01
Temperature range, min.			312.52
Temperature range, max.			434.49
Pvap	1.33	kPa	312.52	Calculated Property
Pvap	2.91	kPa	326.07	Calculated Property
Pvap	5.91	kPa	339.62	Calculated Property
Pvap	11.24	kPa	353.18	Calculated Property
Pvap	20.22	kPa	366.73	Calculated Property
Pvap	34.62	kPa	380.28	Calculated Property
Pvap	56.79	kPa	393.83	Calculated Property
Pvap	89.66	kPa	407.39	Calculated Property
Pvap	136.85	kPa	420.94	Calculated Property
Pvap	202.66	kPa	434.49	Calculated Property

Similar Compounds

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

Sources

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

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