Chemical Properties of Octanoic acid, 2-butyl- (CAS 27610-92-0)

InChI

InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)

InChI Key

OARDBPIZDHVTCK-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCCCCC(CCCC)C(=O)O

Molecular Weight¹

200.32

CAS

27610-92-0

Other Names

• 2-Butyloctanoic acid
• 2-Butyloctansaeure
• 5-Undecanecarboxylic acid

• 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).
• 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	[505.83; 585.85]	J/mol×K	[619.23; 800.34]
Cp,gas	505.83	J/mol×K	619.23	Joback Calculated Property
Cp,gas	520.88	J/mol×K	649.42	Joback Calculated Property
Cp,gas	535.21	J/mol×K	679.60	Joback Calculated Property
Cp,gas	548.84	J/mol×K	709.79	Joback Calculated Property
Cp,gas	561.81	J/mol×K	739.97	Joback Calculated Property
Cp,gas	574.13	J/mol×K	770.16	Joback Calculated Property
Cp,gas	585.85	J/mol×K	800.34	Joback Calculated Property
η	[0.0001676; 0.0019120]	Pa×s	[370.60; 619.23]
η	0.0019120	Pa×s	370.60	Joback Calculated Property
η	0.0010391	Pa×s	412.04	Joback Calculated Property
η	0.0006313	Pa×s	453.48	Joback Calculated Property
η	0.0004169	Pa×s	494.91	Joback Calculated Property
η	0.0002936	Pa×s	536.35	Joback Calculated Property
η	0.0002174	Pa×s	577.79	Joback Calculated Property
η	0.0001676	Pa×s	619.23	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.14; 202.65]	kPa	[335.12; 618.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.18405e+01
Coefficient B			-3.50624e+03
Coefficient C			-8.10260e+01
Temperature range, min.			335.12
Temperature range, max.			618.05
Pvap	0.14	kPa	335.12	Calculated Property
Pvap	0.64	kPa	366.56	Calculated Property
Pvap	2.18	kPa	397.99	Calculated Property
Pvap	5.91	kPa	429.43	Calculated Property
Pvap	13.59	kPa	460.87	Calculated Property
Pvap	27.53	kPa	492.30	Calculated Property
Pvap	50.43	kPa	523.74	Calculated Property
Pvap	85.26	kPa	555.18	Calculated Property
Pvap	135.03	kPa	586.61	Calculated Property
Pvap	202.65	kPa	618.05	Calculated Property

Similar Compounds

Find more compounds similar to Octanoic acid, 2-butyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.