Chemical Properties of 2-Pentenal (CAS 764-39-6)

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3

InChI Key

DTCCTIQRPGSLPT-UHFFFAOYSA-N

Formula

C5H8O

SMILES

CCC=CC=O

Molecular Weight¹

84.12

CAS

764-39-6

Other Names

• Pent-2-enal

• 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 : 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	0.3067		Relay (1.0) Calculated Property
ΔfG°	-28.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-136.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.20	kJ/mol	Joback Calculated Property
ΔvapH°	38.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	NIST
log10WS	-0.50		Relay (1.0) Calculated Property
logPoct/wat	1.151		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	4046.64	kPa	Joback Calculated Property
Inp	[674.28; 738.00]
Inp	675.36		NIST
Inp	674.28		NIST
Inp	674.91		NIST
Inp	675.32		NIST
Inp	675.72		NIST
Inp	676.77		NIST
Inp	677.72		NIST
Inp	678.55		NIST
Inp	678.68		NIST
Inp	680.44		NIST
Inp	682.23		NIST
Inp	686.31		NIST
Inp	700.44		NIST
Inp	698.24		NIST
Inp	699.75		NIST
Inp	700.64		NIST
Inp	701.70		NIST
Inp	702.48		NIST
Inp	704.71		NIST
Inp	705.68		NIST
Inp	707.08		NIST
Inp	710.42		NIST
Inp	713.43		NIST
Inp	717.73		NIST
Inp	735.00		NIST
Inp	721.00		NIST
Inp	721.00		NIST
Inp	726.00		NIST
Inp	738.00		NIST
Inp	718.00		NIST
Inp	719.00		NIST
Inp	725.00		NIST
Inp	735.00		NIST
Inp	723.00		NIST
Inp	735.00		NIST
Inp	675.36		NIST
Inp	676.77		NIST
Inp	682.23		NIST
Inp	700.64		NIST
Inp	707.08		NIST
Inp	725.00		NIST
I	[1043.00; 1087.98]
I	1043.68		NIST
I	1064.46		NIST
I	1078.94		NIST
I	1087.98		NIST
I	1073.00		NIST
I	1073.00		NIST
I	1043.00		NIST
I	1043.68		NIST
Tboil	397.00 ± 3.00	K	NIST
Tc	586.59	K	Relay (1.0) Calculated Property
Tfus	182.10	K	Relay (1.0) Calculated Property
Vc	0.291	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.46; 237.48]	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			-4.43900e+00
Coefficient B			4.73320e-01
Coefficient C			-3.25000e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.46	J/mol×K	273.00	Calculated Property
Cp,gas	126.48	J/mol×K	353.78	Calculated Property
Cp,gas	147.55	J/mol×K	434.56	Calculated Property
Cp,gas	165.98	J/mol×K	515.33	Calculated Property
Cp,gas	182.05	J/mol×K	596.11	Calculated Property
Cp,gas	196.07	J/mol×K	676.89	Calculated Property
Cp,gas	208.32	J/mol×K	757.67	Calculated Property
Cp,gas	219.11	J/mol×K	838.44	Calculated Property
Cp,gas	228.73	J/mol×K	919.22	Calculated Property
Cp,gas	237.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033669; 0.0002219]	Pa×s	[183.03; 384.41]	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			-1.08848e+01
Coefficient B			9.50110e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			183.03
Temperature range, max.			384.41
η	0.0033669	Pa×s	183.03	Calculated Property
η	0.0019127	Pa×s	205.41	Calculated Property
η	0.0012142	Pa×s	227.78	Calculated Property
η	0.0008361	Pa×s	250.16	Calculated Property
η	0.0006121	Pa×s	272.53	Calculated Property
η	0.0004699	Pa×s	294.91	Calculated Property
η	0.0003744	Pa×s	317.29	Calculated Property
η	0.0003073	Pa×s	339.66	Calculated Property
η	0.0002585	Pa×s	362.04	Calculated Property
η	0.0002219	Pa×s	384.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[294.72; 421.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49143e+01
Coefficient B			-3.55666e+03
Coefficient C			-5.15580e+01
Temperature range, min.			294.72
Temperature range, max.			421.93
Pvap	1.33	kPa	294.72	Calculated Property
Pvap	2.98	kPa	308.85	Calculated Property
Pvap	6.12	kPa	322.99	Calculated Property
Pvap	11.70	kPa	337.12	Calculated Property
Pvap	21.05	kPa	351.26	Calculated Property
Pvap	35.92	kPa	365.39	Calculated Property
Pvap	58.54	kPa	379.53	Calculated Property
Pvap	91.64	kPa	393.66	Calculated Property
Pvap	138.43	kPa	407.80	Calculated Property
Pvap	202.62	kPa	421.93	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentenal.

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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