Chemical Properties of Isoundecanoic acid (CAS 2724-56-3)

InChI

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

InChI Key

QJRRBVNPIKYRQJ-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CC(C)CCCCCCCCC(=O)O

Molecular Weight¹

200.32

CAS

2724-56-3

Other Names

• 10-methylundecanoic 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).
• 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	0.8634		Relay (1.0) Calculated Property
ΔfG°	-296.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.46	kJ/mol	Joback Calculated Property
ΔvapH°	95.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	3.848		Crippen Calculated Property
McVol	187.380	ml/mol	McGowan Calculated Property
Pc	1935.54	kPa	Joback Calculated Property
Inp	[1399.00; 1399.00]
Inp	1399.00		NIST
Inp	1399.00		NIST
Tboil	556.00	K	Relay (1.0) Calculated Property
Tc	744.92	K	Relay (1.0) Calculated Property
Tfus	315.70 ± 1.00	K	NIST
Vc	0.708	m3/kmol	Relay (1.0) Calculated Property

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	[1.33; 202.63]	kPa	[433.32; 598.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55220e+01
Coefficient B			-5.10866e+03
Coefficient C			-9.79840e+01
Temperature range, min.			433.32
Temperature range, max.			598.31
Pvap	1.33	kPa	433.32	Calculated Property
Pvap	2.94	kPa	451.65	Calculated Property
Pvap	5.98	kPa	469.98	Calculated Property
Pvap	11.41	kPa	488.32	Calculated Property
Pvap	20.52	kPa	506.65	Calculated Property
Pvap	35.09	kPa	524.98	Calculated Property
Pvap	57.42	kPa	543.31	Calculated Property
Pvap	90.37	kPa	561.65	Calculated Property
Pvap	137.42	kPa	579.98	Calculated Property
Pvap	202.63	kPa	598.31	Calculated Property

Similar Compounds

Find more compounds similar to Isoundecanoic acid.

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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