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

• 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.
• 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°	-218.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-561.10	kJ/mol	Joback Calculated Property
ΔfusH°	29.00	kJ/mol	Joback Calculated Property
ΔvapH°	65.34	kJ/mol	Joback Calculated Property
log10WS	-3.70		Crippen Calculated Property
logPoct/wat	3.848		Crippen Calculated Property
McVol	187.380	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[1399.00; 1399.00]
Inp	1399.00		NIST
Inp	1399.00		NIST
Tboil	619.57	K	Joback Calculated Property
Tc	787.94	K	Joback Calculated Property
Tfus	315.70 ± 1.00	K	NIST
Vc	0.727	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.20; 578.34]	J/mol×K	[619.57; 787.94]
Cp,gas	503.20	J/mol×K	619.57	Joback Calculated Property
Cp,gas	517.19	J/mol×K	647.63	Joback Calculated Property
Cp,gas	530.57	J/mol×K	675.69	Joback Calculated Property
Cp,gas	543.36	J/mol×K	703.75	Joback Calculated Property
Cp,gas	555.57	J/mol×K	731.81	Joback Calculated Property
Cp,gas	567.23	J/mol×K	759.87	Joback Calculated Property
Cp,gas	578.34	J/mol×K	787.94	Joback Calculated Property
η	[0.0000682; 0.0120962]	Pa×s	[320.75; 619.57]
η	0.0120962	Pa×s	320.75	Joback Calculated Property
η	0.0028570	Pa×s	370.55	Joback Calculated Property
η	0.0009499	Pa×s	420.36	Joback Calculated Property
η	0.0003988	Pa×s	470.16	Joback Calculated Property
η	0.0001977	Pa×s	519.96	Joback Calculated Property
η	0.0001108	Pa×s	569.77	Joback Calculated Property
η	0.0000682	Pa×s	619.57	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[433.32; 598.31]	The Yaw...
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

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

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