Chemical Properties of OCTANOIC ACID, 2-METHYL- (CAS 3004-93-1)

InChI

InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)

InChI Key

YSEQNZOXHCKLOG-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCCCCCC(C)C(=O)O

Molecular Weight¹

158.24

CAS

3004-93-1

Other Names

• 2-Methyloctanoic acid
• Caprylic acid, «alpha»-methyl-

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.12; 427.63]	J/mol×K	[550.59; 737.12]
Cp,gas	358.12	J/mol×K	550.59	Joback Calculated Property
Cp,gas	371.21	J/mol×K	581.68	Joback Calculated Property
Cp,gas	383.67	J/mol×K	612.77	Joback Calculated Property
Cp,gas	395.52	J/mol×K	643.85	Joback Calculated Property
Cp,gas	406.78	J/mol×K	674.94	Joback Calculated Property
Cp,gas	417.48	J/mol×K	706.03	Joback Calculated Property
Cp,gas	427.63	J/mol×K	737.12	Joback Calculated Property
η	[0.0002263; 0.0021799]	Pa×s	[336.79; 550.59]
η	0.0021799	Pa×s	336.79	Joback Calculated Property
η	0.0012475	Pa×s	372.42	Joback Calculated Property
η	0.0007870	Pa×s	408.06	Joback Calculated Property
η	0.0005346	Pa×s	443.69	Joback Calculated Property
η	0.0003847	Pa×s	479.32	Joback Calculated Property
η	0.0002897	Pa×s	514.96	Joback Calculated Property
η	0.0002263	Pa×s	550.59	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[395.72; 549.25]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54818e+01
Coefficient B			-4.72238e+03
Coefficient C			-8.49180e+01
Temperature range, min.			395.72
Temperature range, max.			549.25
Pvap	1.33	kPa	395.72	Calculated Property
Pvap	2.94	kPa	412.78	Calculated Property
Pvap	5.99	kPa	429.84	Calculated Property
Pvap	11.42	kPa	446.90	Calculated Property
Pvap	20.55	kPa	463.96	Calculated Property
Pvap	35.14	kPa	481.01	Calculated Property
Pvap	57.50	kPa	498.07	Calculated Property
Pvap	90.46	kPa	515.13	Calculated Property
Pvap	137.50	kPa	532.19	Calculated Property
Pvap	202.65	kPa	549.25	Calculated Property

Similar Compounds

Find more compounds similar to OCTANOIC ACID, 2-METHYL-.

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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