Chemical Properties of ethyl (E)-4-octenoate (CAS 78989-37-4)

InChI

InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+

InChI Key

WRUZCQAJIHSQPL-VOTSOKGWSA-N

Formula

C10H18O2

SMILES

CCCC=CCCC(=O)OCC

Molecular Weight¹

170.25

CAS

78989-37-4

Other Names

• ethyl (E)-3-octenoate
• Ethyl trans-4-octenoate
• ethyl (E)-oct-4-enoate

• 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).
• 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
ω	0.4983		Relay (1.0) Calculated Property
ΔfG°	-196.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.23	kJ/mol	Joback Calculated Property
ΔvapH°	60.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.686		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2222.89	kPa	Joback Calculated Property
Inp	[1169.00; 1184.00]
Inp	1172.00		NIST
Inp	1173.00		NIST
Inp	1169.00		NIST
Inp	1169.00		NIST
Inp	Outlier 1184.00		NIST
Inp	1177.00		NIST
Inp	1169.00		NIST
Inp	1169.00		NIST
Inp	1172.00		NIST
I	[1483.00; 1483.00]
I	1483.00		NIST
I	1483.00		NIST
Tboil	463.01	K	Relay (1.0) Calculated Property
Tc	649.85	K	Relay (1.0) Calculated Property
Tfus	193.15	K	Relay (1.0) Calculated Property
Vc	0.578	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.95; 512.76]	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			5.02500e+00
Coefficient B			9.19040e-01
Coefficient C			-5.09400e-04
Coefficient D			9.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.95	J/mol×K	273.00	Calculated Property
Cp,gas	270.75	J/mol×K	353.78	Calculated Property
Cp,gas	316.25	J/mol×K	434.56	Calculated Property
Cp,gas	356.78	J/mol×K	515.33	Calculated Property
Cp,gas	392.64	J/mol×K	596.11	Calculated Property
Cp,gas	424.14	J/mol×K	676.89	Calculated Property
Cp,gas	451.59	J/mol×K	757.67	Calculated Property
Cp,gas	475.31	J/mol×K	838.44	Calculated Property
Cp,gas	495.60	J/mol×K	919.22	Calculated Property
Cp,gas	512.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0055282; 0.0002064]	Pa×s	[239.71; 467.37]	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			-1.19477e+01
Coefficient B			1.61800e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			239.71
Temperature range, max.			467.37
η	0.0055282	Pa×s	239.71	Calculated Property
η	0.0029025	Pa×s	265.01	Calculated Property
η	0.0017050	Pa×s	290.30	Calculated Property
η	0.0010907	Pa×s	315.60	Calculated Property
η	0.0007456	Pa×s	340.89	Calculated Property
η	0.0005372	Pa×s	366.19	Calculated Property
η	0.0004038	Pa×s	391.48	Calculated Property
η	0.0003142	Pa×s	416.78	Calculated Property
η	0.0002516	Pa×s	442.07	Calculated Property
η	0.0002064	Pa×s	467.37	Calculated Property

Similar Compounds

Find more compounds similar to ethyl (E)-4-octenoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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