Chemical Properties of 4-Pentenal (CAS 2100-17-6)

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2

InChI Key

QUMSUJWRUHPEEJ-UHFFFAOYSA-N

Formula

C5H8O

SMILES

C=CCCC=O

Molecular Weight¹

84.12

CAS

2100-17-6

Other Names

• Pent-4-enal

• 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).
• 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°	-20.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.68	kJ/mol	Joback Calculated Property
ΔfusH°	9.71	kJ/mol	Joback Calculated Property
ΔvapH°	32.77	kJ/mol	Joback Calculated Property
log10WS	-1.05		Crippen Calculated Property
logPoct/wat	1.151		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	3995.65	kPa	Joback Calculated Property
Inp	[820.00; 820.00]
Inp	820.00		NIST
Inp	820.00		NIST
I	[1123.00; 1134.00]
I	1134.00		NIST
I	1123.00		NIST
Tboil	359.14	K	Joback Calculated Property
Tc	535.69	K	Joback Calculated Property
Tfus	183.20 ± 0.60	K	NIST
Vc	0.314	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.25; 172.86]	J/mol×K	[359.14; 535.69]
Cp,gas	131.25	J/mol×K	359.14	Joback Calculated Property
Cp,gas	138.97	J/mol×K	388.57	Joback Calculated Property
Cp,gas	146.37	J/mol×K	417.99	Joback Calculated Property
Cp,gas	153.45	J/mol×K	447.42	Joback Calculated Property
Cp,gas	160.21	J/mol×K	476.84	Joback Calculated Property
Cp,gas	166.68	J/mol×K	506.27	Joback Calculated Property
Cp,gas	172.86	J/mol×K	535.69	Joback Calculated Property
η	[0.0002941; 0.0030720]	Pa×s	[186.35; 359.14]
η	0.0030720	Pa×s	186.35	Joback Calculated Property
η	0.0015994	Pa×s	215.15	Joback Calculated Property
η	0.0009714	Pa×s	243.95	Joback Calculated Property
η	0.0006555	Pa×s	272.75	Joback Calculated Property
η	0.0004769	Pa×s	301.54	Joback Calculated Property
η	0.0003667	Pa×s	330.34	Joback Calculated Property
η	0.0002941	Pa×s	359.14	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[274.72; 403.24]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43066e+01
Coefficient B			-3.22594e+03
Coefficient C			-4.46080e+01
Temperature range, min.			274.72
Temperature range, max.			403.24
Pvap	1.33	kPa	274.72	Calculated Property
Pvap	3.02	kPa	289.00	Calculated Property
Pvap	6.27	kPa	303.28	Calculated Property
Pvap	12.04	kPa	317.56	Calculated Property
Pvap	21.66	kPa	331.84	Calculated Property
Pvap	36.87	kPa	346.12	Calculated Property
Pvap	59.81	kPa	360.40	Calculated Property
Pvap	93.05	kPa	374.68	Calculated Property
Pvap	139.55	kPa	388.96	Calculated Property
Pvap	202.64	kPa	403.24	Calculated Property

Similar Compounds

Find more compounds similar to 4-Pentenal.

Sources

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

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