Chemical Properties of 4-Ethyloctanoic acid (CAS 16493-80-4)

InChI

InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

InChI Key

PWKJMPFEQOHBAC-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCC(CC)CCC(=O)O

Molecular Weight¹

172.26

CAS

16493-80-4

• 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°	-234.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-519.82	kJ/mol	Joback Calculated Property
ΔfusH°	23.82	kJ/mol	Joback Calculated Property
ΔvapH°	60.89	kJ/mol	Joback Calculated Property
log10WS	-2.87		Crippen Calculated Property
logPoct/wat	3.068		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	1333.00		NIST
I	[2169.00; 2216.00]
I	2206.00		NIST
I	2169.00		NIST
I	2216.00		NIST
I	2190.00		NIST
I	2216.00		NIST
Tboil	527.65 ± 4.00	K	NIST
Tc	743.57	K	Joback Calculated Property
Tfus	298.21	K	Joback Calculated Property
Vc	0.615	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.15; 471.43]	J/mol×K	[573.81; 743.57]
Cp,gas	403.15	J/mol×K	573.81	Joback Calculated Property
Cp,gas	415.84	J/mol×K	602.10	Joback Calculated Property
Cp,gas	427.99	J/mol×K	630.40	Joback Calculated Property
Cp,gas	439.61	J/mol×K	658.69	Joback Calculated Property
Cp,gas	450.71	J/mol×K	686.99	Joback Calculated Property
Cp,gas	461.31	J/mol×K	715.28	Joback Calculated Property
Cp,gas	471.43	J/mol×K	743.57	Joback Calculated Property
η	[0.0000979; 0.0185428]	Pa×s	[298.21; 573.81]
η	0.0185428	Pa×s	298.21	Joback Calculated Property
η	0.0043186	Pa×s	344.14	Joback Calculated Property
η	0.0014176	Pa×s	390.08	Joback Calculated Property
η	0.0005884	Pa×s	436.01	Joback Calculated Property
η	0.0002888	Pa×s	481.94	Joback Calculated Property
η	0.0001605	Pa×s	527.88	Joback Calculated Property
η	0.0000979	Pa×s	573.81	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[406.12; 567.51]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51975e+01
Coefficient B			-4.73522e+03
Coefficient C			-8.85320e+01
Temperature range, min.			406.12
Temperature range, max.			567.51
Pvap	1.33	kPa	406.12	Calculated Property
Pvap	2.96	kPa	424.05	Calculated Property
Pvap	6.05	kPa	441.98	Calculated Property
Pvap	11.56	kPa	459.92	Calculated Property
Pvap	20.79	kPa	477.85	Calculated Property
Pvap	35.52	kPa	495.78	Calculated Property
Pvap	58.01	kPa	513.71	Calculated Property
Pvap	91.04	kPa	531.65	Calculated Property
Pvap	137.95	kPa	549.58	Calculated Property
Pvap	202.64	kPa	567.51	Calculated Property

Similar Compounds

Find more compounds similar to 4-Ethyloctanoic acid.

Sources

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

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