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

CCC=CC=O

Molecular Weight¹

84.12

CAS

1576-87-0

Other Names

• (E)-2-Pentenal
• (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

• 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).
• 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_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
PAff	839.00	kJ/mol	NIST
BasG	807.20	kJ/mol	NIST
ΔfG°	-28.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-114.89	kJ/mol	Joback Calculated Property
ΔfusH°	11.20	kJ/mol	Joback Calculated Property
ΔvapH°	33.40	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	4046.64	kPa	Joback Calculated Property
Inp	[718.00; 767.00]
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	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	754.00		NIST
Inp	723.00		NIST
Inp	741.00		NIST
Inp	723.00		NIST
Inp	744.00		NIST
Inp	761.00		NIST
Inp	724.00		NIST
I	[1096.00; 1174.00]
I	1125.00		NIST
I	1130.00		NIST
I	1130.00		NIST
I	1124.00		NIST
I	1134.00		NIST
I	Outlier 1096.00		NIST
I	1128.00		NIST
I	1143.00		NIST
I	1147.00		NIST
I	1147.00		NIST
I	1147.00		NIST
I	1147.00		NIST
I	1111.00		NIST
I	1132.00		NIST
I	1132.00		NIST
I	1132.00		NIST
I	1125.00		NIST
I	1127.00		NIST
I	1125.00		NIST
I	1124.00		NIST
I	1127.00		NIST
I	1140.00		NIST
I	1135.00		NIST
I	1139.00		NIST
I	1133.00		NIST
I	1131.00		NIST
I	Outlier 1096.00		NIST
I	1124.00		NIST
I	1124.00		NIST
I	1134.00		NIST
I	1131.00		NIST
I	1138.00		NIST
I	1146.00		NIST
I	Outlier 1173.00		NIST
I	Outlier 1174.00		NIST
I	1134.00		NIST
I	1127.00		NIST
I	1131.00		NIST
I	1121.00		NIST
I	1117.00		NIST
I	1144.00		NIST
I	1124.00		NIST
I	1121.00		NIST
I	1104.00		NIST
I	1121.00		NIST
I	1104.00		NIST
I	1108.00		NIST
I	1104.00		NIST
I	1125.00		NIST
I	1104.00		NIST
I	1123.00		NIST
I	1124.00		NIST
I	1130.00		NIST
I	1134.00		NIST
I	1138.00		NIST
I	1123.00		NIST
I	1131.00		NIST
I	1138.00		NIST
I	1116.00		NIST
I	1124.00		NIST
I	1118.00		NIST
I	1123.00		NIST
I	1131.00		NIST
I	1134.00		NIST
I	1144.00		NIST
I	1104.00		NIST
I	1123.00		NIST
I	1116.00		NIST
Tboil	366.62	K	Joback Calculated Property
Tc	548.86	K	Joback Calculated Property
Tfus	183.03	K	Joback Calculated Property
Vc	0.312	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.02; 172.92]	J/mol×K	[366.62; 548.86]
Cp,gas	130.02	J/mol×K	366.62	Joback Calculated Property
Cp,gas	138.10	J/mol×K	396.99	Joback Calculated Property
Cp,gas	145.79	J/mol×K	427.37	Joback Calculated Property
Cp,gas	153.10	J/mol×K	457.74	Joback Calculated Property
Cp,gas	160.05	J/mol×K	488.11	Joback Calculated Property
Cp,gas	166.65	J/mol×K	518.49	Joback Calculated Property
Cp,gas	172.92	J/mol×K	548.86	Joback Calculated Property
η	[0.0002502; 0.0033669]	Pa×s	[183.03; 366.62]
η	0.0033669	Pa×s	183.03	Joback Calculated Property
η	0.0016007	Pa×s	213.63	Joback Calculated Property
η	0.0009169	Pa×s	244.23	Joback Calculated Property
η	0.0005946	Pa×s	274.82	Joback Calculated Property
η	0.0004205	Pa×s	305.42	Joback Calculated Property
η	0.0003168	Pa×s	336.02	Joback Calculated Property
η	0.0002502	Pa×s	366.62	Joback 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
Pvap	[1.33; 202.65]	kPa	[294.72; 396.39]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.