Chemical Properties of 2-Pentenal, (E)- (CAS 1576-87-0)

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+

InChI Key

DTCCTIQRPGSLPT-ONEGZZNKSA-N

Formula

C5H8O

SMILES

CC/C=C/C=O

Molecular Weight¹

84.12

CAS

1576-87-0

Other Names

• (E)-Pent-2-enal
• (E)-pent-2-en-1-al
• 2-(E)-Pentenal
• trans-2-Penten-1-al
• trans-2-Pentenal
• trans-Pent-2-enal
• (E)-2-Pentenal

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (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	0.2929		Relay (1.0) Calculated Property
PAff	839.00	kJ/mol	NIST
BasG	807.20	kJ/mol	NIST
ΔfG°	-28.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-132.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.20	kJ/mol	Joback Calculated Property
ΔvapH°	40.80	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-0.72		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	[718.00; 767.00]
Inp	744.00		NIST
Inp	749.00		NIST
Inp	755.00		NIST
Inp	744.00		NIST
Inp	723.00		NIST
Inp	730.00		NIST
Inp	751.00		NIST
Inp	743.00		NIST
Inp	744.00		NIST
Inp	753.00		NIST
Inp	757.00		NIST
Inp	724.30		NIST
Inp	748.00		NIST
Inp	724.00		NIST
Inp	753.00		NIST
Inp	754.00		NIST
Inp	724.00		NIST
Inp	721.40		NIST
Inp	758.00		NIST
Inp	745.00		NIST
Inp	727.00		NIST
Inp	730.00		NIST
Inp	759.00		NIST
Inp	759.00		NIST
Inp	767.00		NIST
Inp	749.00		NIST
Inp	744.00		NIST
Inp	724.00		NIST
Inp	755.00		NIST
Inp	754.00		NIST
Inp	765.00		NIST
Inp	761.00		NIST
Inp	753.00		NIST
Inp	765.00		NIST
Inp	743.00		NIST
Inp	718.00		NIST
Inp	724.00		NIST
Inp	723.00		NIST
Inp	723.00		NIST
Inp	723.00		NIST
Inp	725.00		NIST
Inp	728.00		NIST
Inp	746.00		NIST
Inp	750.00		NIST
Inp	759.00		NIST
Inp	755.00		NIST
Inp	753.00		NIST
Inp	751.00		NIST
Inp	754.00		NIST
Inp	723.00		NIST
Inp	741.00		NIST
Inp	761.00		NIST
Inp	724.00		NIST
Inp	753.00		NIST
Inp	758.00		NIST
Inp	723.00		NIST
Ip	[1096.00; 1174.00]
Ip	Outlier 1167.00		NIST
Ip	1127.00		NIST
Ip	1127.00		NIST
Ip	1125.00		NIST
Ip	1130.00		NIST
Ip	1124.00		NIST
Ip	1134.00		NIST
Ip	Outlier 1096.00		NIST
Ip	1128.00		NIST
Ip	1143.00		NIST
Ip	1147.00		NIST
Ip	1147.00		NIST
Ip	1147.00		NIST
Ip	1147.00		NIST
Ip	1111.00		NIST
Ip	1132.00		NIST
Ip	1132.00		NIST
Ip	1132.00		NIST
Ip	1125.00		NIST
Ip	1127.00		NIST
Ip	1125.00		NIST
Ip	1124.00		NIST
Ip	1127.00		NIST
Ip	1140.00		NIST
Ip	1135.00		NIST
Ip	1139.00		NIST
Ip	1133.00		NIST
Ip	1131.00		NIST
Ip	Outlier 1096.00		NIST
Ip	1124.00		NIST
Ip	1124.00		NIST
Ip	1134.00		NIST
Ip	1131.00		NIST
Ip	1138.00		NIST
Ip	1146.00		NIST
Ip	Outlier 1173.00		NIST
Ip	Outlier 1174.00		NIST
Ip	1134.00		NIST
Ip	1127.00		NIST
Ip	1131.00		NIST
Ip	1121.00		NIST
Ip	1117.00		NIST
Ip	1144.00		NIST
Ip	1124.00		NIST
Ip	1121.00		NIST
Ip	1104.00		NIST
Ip	1121.00		NIST
Ip	1104.00		NIST
Ip	1108.00		NIST
Ip	1104.00		NIST
Ip	1125.00		NIST
Ip	1104.00		NIST
Ip	1123.00		NIST
Ip	1124.00		NIST
Ip	1130.00		NIST
Ip	1134.00		NIST
Ip	1138.00		NIST
Ip	1123.00		NIST
Ip	1131.00		NIST
Ip	1138.00		NIST
Ip	1116.00		NIST
Ip	1124.00		NIST
Ip	1118.00		NIST
Ip	1123.00		NIST
Ip	1131.00		NIST
Ip	1134.00		NIST
Ip	1144.00		NIST
Ip	1104.00		NIST
Ip	1123.00		NIST
Ip	1116.00		NIST
Tboil	380.72	K	Relay (1.0) Calculated Property
Tc	598.46	K	Relay (1.0) Calculated Property
Tfus	178.58	K	Relay (1.0) Calculated Property
Vc	0.289	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[336.20; 353.70]	K	[11.00; 21.30]
Tboilr	336.20	K	11.00	NIST
Tboilr	353.70	K	21.30	NIST

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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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; 202.65]	kPa	[294.72; 396.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.73271e+01
Coefficient B			-4.14335e+03
Coefficient C			-5.15580e+01
Temperature range, min.			294.72
Temperature range, max.			396.39
Pvap	1.33	kPa	294.72	Calculated Property
Pvap	2.84	kPa	306.02	Calculated Property
Pvap	5.68	kPa	317.31	Calculated Property
Pvap	10.72	kPa	328.61	Calculated Property
Pvap	19.26	kPa	339.91	Calculated Property
Pvap	33.10	kPa	351.20	Calculated Property
Pvap	54.70	kPa	362.50	Calculated Property
Pvap	87.27	kPa	373.80	Calculated Property
Pvap	134.90	kPa	385.09	Calculated Property
Pvap	202.65	kPa	396.39	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentenal, (E)-.

Sources

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

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