Chemical Properties of 3-Octenal (CAS ---)

InChI

InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h5-6,8H,2-4,7H2,1H3/b6-5+

InChI Key

WDWAUVJQFVTKEW-AATRIKPKSA-N

Formula

C8H14O

SMILES

CCCCC=CCC=O

Molecular Weight¹

126.20

CAS

---

Other Names

• 3-Octen-1-one

• 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.
• 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	0.3915		Relay (1.0) Calculated Property
ΔfG°	-2.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-225.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.97	kJ/mol	Joback Calculated Property
ΔvapH°	50.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-2.21		Relay (1.0) 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	[991.00; 991.00]
Inp	991.00		NIST
Inp	991.00		NIST
Tboil	443.34	K	Relay (1.0) Calculated Property
Tc	627.02	K	Relay (1.0) Calculated Property
Tfus	216.84	K	Relay (1.0) Calculated Property
Vc	0.440	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.10; 392.25]	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			-7.16600e+00
Coefficient B			7.58320e-01
Coefficient C			-4.88200e-04
Coefficient D			1.29300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.10	J/mol×K	273.00	Calculated Property
Cp,gas	205.73	J/mol×K	353.78	Calculated Property
Cp,gas	240.79	J/mol×K	434.56	Calculated Property
Cp,gas	271.67	J/mol×K	515.33	Calculated Property
Cp,gas	298.79	J/mol×K	596.11	Calculated Property
Cp,gas	322.55	J/mol×K	676.89	Calculated Property
Cp,gas	343.37	J/mol×K	757.67	Calculated Property
Cp,gas	361.66	J/mol×K	838.44	Calculated Property
Cp,gas	377.81	J/mol×K	919.22	Calculated Property
Cp,gas	392.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045537; 0.0002716]	Pa×s	[216.84; 430.24]	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			-1.10761e+01
Coefficient B			1.23259e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.84
Temperature range, max.			430.24
η	0.0045537	Pa×s	216.84	Calculated Property
η	0.0026004	Pa×s	240.55	Calculated Property
η	0.0016420	Pa×s	264.26	Calculated Property
η	0.0011184	Pa×s	287.97	Calculated Property
η	0.0008075	Pa×s	311.68	Calculated Property
η	0.0006106	Pa×s	335.39	Calculated Property
η	0.0004790	Pa×s	359.10	Calculated Property
η	0.0003873	Pa×s	382.81	Calculated Property
η	0.0003210	Pa×s	406.53	Calculated Property
η	0.0002716	Pa×s	430.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[344.32; 484.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51611e+01
Coefficient B			-4.09803e+03
Coefficient C			-6.87940e+01
Temperature range, min.			344.32
Temperature range, max.			484.85
Pvap	1.33	kPa	344.32	Calculated Property
Pvap	2.96	kPa	359.93	Calculated Property
Pvap	6.06	kPa	375.55	Calculated Property
Pvap	11.58	kPa	391.16	Calculated Property
Pvap	20.82	kPa	406.78	Calculated Property
Pvap	35.57	kPa	422.39	Calculated Property
Pvap	58.07	kPa	438.01	Calculated Property
Pvap	91.11	kPa	453.62	Calculated Property
Pvap	138.01	kPa	469.24	Calculated Property
Pvap	202.63	kPa	484.85	Calculated Property

Similar Compounds

Find more compounds similar to 3-Octenal.

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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