Chemical Properties of 11-methyldodecanoic acid (CAS 25448-24-2)

InChI

InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)

InChI Key

SIOLDWZBFABPJU-UHFFFAOYSA-N

Formula

C13H26O2

SMILES

CC(C)CCCCCCCCCC(=O)O

Molecular Weight¹

214.34

CAS

25448-24-2

Other Names

• isotridecanoic 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 : 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	0.8986		Relay (1.0) Calculated Property
ΔfG°	-287.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-683.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.05	kJ/mol	Joback Calculated Property
ΔvapH°	100.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	4.238		Crippen Calculated Property
McVol	201.470	ml/mol	McGowan Calculated Property
Pc	1781.84	kPa	Joback Calculated Property
I	[2555.00; 2555.00]
I	2555.00		NIST
I	2555.00		NIST
Tboil	565.50	K	Relay (1.0) Calculated Property
Tc	756.68	K	Relay (1.0) Calculated Property
Tfus	318.96	K	Relay (1.0) Calculated Property
Vc	0.763	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.12; 640.90]	J/mol×K	[642.11; 821.95]
Cp,gas	558.12	J/mol×K	642.11	Joback Calculated Property
Cp,gas	573.68	J/mol×K	672.08	Joback Calculated Property
Cp,gas	588.51	J/mol×K	702.06	Joback Calculated Property
Cp,gas	602.61	J/mol×K	732.03	Joback Calculated Property
Cp,gas	616.03	J/mol×K	762.01	Joback Calculated Property
Cp,gas	628.78	J/mol×K	791.98	Joback Calculated Property
Cp,gas	640.90	J/mol×K	821.95	Joback Calculated Property
η	[0.0001495; 0.0017940]	Pa×s	[381.87; 642.11]
η	0.0017940	Pa×s	381.87	Joback Calculated Property
η	0.0009599	Pa×s	425.24	Joback Calculated Property
η	0.0005767	Pa×s	468.62	Joback Calculated Property
η	0.0003777	Pa×s	511.99	Joback Calculated Property
η	0.0002642	Pa×s	555.36	Joback Calculated Property
η	0.0001947	Pa×s	598.74	Joback Calculated Property
η	0.0001495	Pa×s	642.11	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[445.72; 612.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56459e+01
Coefficient B			-5.27447e+03
Coefficient C			-1.02293e+02
Temperature range, min.			445.72
Temperature range, max.			612.67
Pvap	1.33	kPa	445.72	Calculated Property
Pvap	2.93	kPa	464.27	Calculated Property
Pvap	5.96	kPa	482.82	Calculated Property
Pvap	11.35	kPa	501.37	Calculated Property
Pvap	20.42	kPa	519.92	Calculated Property
Pvap	34.93	kPa	538.47	Calculated Property
Pvap	57.21	kPa	557.02	Calculated Property
Pvap	90.14	kPa	575.57	Calculated Property
Pvap	137.23	kPa	594.12	Calculated Property
Pvap	202.65	kPa	612.67	Calculated Property

Similar Compounds

Find more compounds similar to 11-methyldodecanoic 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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