Chemical Properties of 2-Octenal (CAS 2363-89-5)

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3

InChI Key

LVBXEMGDVWVTGY-UHFFFAOYSA-N

Formula

C8H14O

SMILES

CCCCCC=CC=O

Molecular Weight¹

126.20

CAS

2363-89-5

Other Names

• oct-2-enal
• oct-2-enal (isomer)

• 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°	-2.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-176.81	kJ/mol	Joback Calculated Property
ΔfusH°	18.97	kJ/mol	Joback Calculated Property
ΔvapH°	40.08	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	2.322		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Pc	2890.51	kPa	Joback Calculated Property
Inp	[1023.00; 1075.00]
Inp	1055.00		NIST
Inp	1056.00		NIST
Inp	1055.00		NIST
Inp	1061.00		NIST
Inp	1036.60		NIST
Inp	1028.00		NIST
Inp	1033.00		NIST
Inp	1039.00		NIST
Inp	1059.00		NIST
Inp	1060.00		NIST
Inp	1060.00		NIST
Inp	1071.00		NIST
Inp	1056.00		NIST
Inp	1042.00		NIST
Inp	1057.00		NIST
Inp	1056.00		NIST
Inp	1059.00		NIST
Inp	1063.00		NIST
Inp	1075.00		NIST
Inp	1062.00		NIST
Inp	1045.00		NIST
Inp	1059.00		NIST
Inp	1048.00		NIST
Inp	1031.00		NIST
Inp	Outlier 1027.00		NIST
Inp	1059.00		NIST
Inp	1062.00		NIST
Inp	1059.00		NIST
Inp	1060.00		NIST
Inp	1062.00		NIST
Inp	1062.00		NIST
Inp	1034.00		NIST
Inp	Outlier 1023.00		NIST
Inp	1059.00		NIST
Inp	1055.00		NIST
Inp	1041.00		NIST
Inp	1046.00		NIST
Inp	1064.00		NIST
Inp	1060.00		NIST
Inp	1060.00		NIST
Inp	1045.00		NIST
Inp	1036.00		NIST
Inp	1056.00		NIST
Inp	1033.00		NIST
Inp	1059.00		NIST
Inp	1062.00		NIST
Inp	1041.00		NIST
Inp	1045.00		NIST
Inp	1055.00		NIST
I	[1378.00; 1460.00]
I	1445.00		NIST
I	1427.00		NIST
I	1382.00		NIST
I	1402.00		NIST
I	1413.00		NIST
I	1421.00		NIST
I	1460.00		NIST
I	1436.00		NIST
I	1400.00		NIST
I	Outlier 1378.00		NIST
I	1414.00		NIST
I	1412.00		NIST
I	1442.00		NIST
I	1440.00		NIST
I	1416.00		NIST
I	1436.00		NIST
I	1414.00		NIST
I	1445.00		NIST
I	1416.00		NIST
Tboil	435.26	K	Joback Calculated Property
Tc	614.34	K	Joback Calculated Property
Tfus	216.84	K	Joback Calculated Property
Vc	0.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.07; 304.43]	J/mol×K	[435.26; 614.34]
Cp,gas	241.07	J/mol×K	435.26	Joback Calculated Property
Cp,gas	252.93	J/mol×K	465.11	Joback Calculated Property
Cp,gas	264.25	J/mol×K	494.95	Joback Calculated Property
Cp,gas	275.03	J/mol×K	524.80	Joback Calculated Property
Cp,gas	285.31	J/mol×K	554.65	Joback Calculated Property
Cp,gas	295.10	J/mol×K	584.49	Joback Calculated Property
Cp,gas	304.43	J/mol×K	614.34	Joback Calculated Property
η	[0.0002628; 0.0045537]	Pa×s	[216.84; 435.26]
η	0.0045537	Pa×s	216.84	Joback Calculated Property
η	0.0020114	Pa×s	253.24	Joback Calculated Property
η	0.0010910	Pa×s	289.65	Joback Calculated Property
η	0.0006784	Pa×s	326.05	Joback Calculated Property
η	0.0004641	Pa×s	362.45	Joback Calculated Property
η	0.0003402	Pa×s	398.86	Joback Calculated Property
η	0.0002628	Pa×s	435.26	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[344.32; 492.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46514e+01
Coefficient B			-3.95760e+03
Coefficient C			-6.87940e+01
Temperature range, min.			344.32
Temperature range, max.			492.52
Pvap	1.33	kPa	344.32	Calculated Property
Pvap	3.00	kPa	360.79	Calculated Property
Pvap	6.18	kPa	377.25	Calculated Property
Pvap	11.84	kPa	393.72	Calculated Property
Pvap	21.30	kPa	410.19	Calculated Property
Pvap	36.32	kPa	426.65	Calculated Property
Pvap	59.07	kPa	443.12	Calculated Property
Pvap	92.23	kPa	459.59	Calculated Property
Pvap	138.90	kPa	476.05	Calculated Property
Pvap	202.63	kPa	492.52	Calculated Property

Similar Compounds

Find more compounds similar to 2-Octenal.

Sources

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

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