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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.15; 304.51]	J/mol×K	[435.46; 614.62]
Cp,gas	241.15	J/mol×K	435.46	Joback Calculated Property
Cp,gas	253.02	J/mol×K	465.32	Joback Calculated Property
Cp,gas	264.33	J/mol×K	495.18	Joback Calculated Property
Cp,gas	275.12	J/mol×K	525.04	Joback Calculated Property
Cp,gas	285.40	J/mol×K	554.90	Joback Calculated Property
Cp,gas	295.19	J/mol×K	584.76	Joback Calculated Property
Cp,gas	304.51	J/mol×K	614.62	Joback Calculated Property
η	[0.0002624; 0.0045537]	Pa×s	[216.84; 435.46]
η	0.0045537	Pa×s	216.84	Joback Calculated Property
η	0.0020101	Pa×s	253.28	Joback Calculated Property
η	0.0010899	Pa×s	289.71	Joback Calculated Property
η	0.0006776	Pa×s	326.15	Joback Calculated Property
η	0.0004635	Pa×s	362.59	Joback Calculated Property
η	0.0003398	Pa×s	399.02	Joback Calculated Property
η	0.0002624	Pa×s	435.46	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[344.32; 484.85]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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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