Chemical Properties of 14-methylpentadecanoic acid (CAS 31844-67-0)

InChI

InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

InChI Key

ZONJATNKKGGVSU-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CC(C)CCCCCCCCCCCCC(=O)O

Molecular Weight¹

256.43

CAS

31844-67-0

• 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	1.0040		Relay (1.0) Calculated Property
ΔfG°	-262.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-744.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.82	kJ/mol	Joback Calculated Property
ΔvapH°	113.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	5.408		Crippen Calculated Property
McVol	243.740	ml/mol	McGowan Calculated Property
Pc	1416.50	kPa	Joback Calculated Property
I	[2861.00; 2861.00]
I	2861.00		NIST
I	2861.00		NIST
Tboil	589.01	K	Relay (1.0) Calculated Property
Tc	787.01	K	Relay (1.0) Calculated Property
Tfus	335.00 ± 1.50	K	NIST
Vc	0.930	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[722.88; 812.65]	J/mol×K	[710.75; 889.12]
Cp,gas	722.88	J/mol×K	710.75	Joback Calculated Property
Cp,gas	739.78	J/mol×K	740.48	Joback Calculated Property
Cp,gas	755.86	J/mol×K	770.21	Joback Calculated Property
Cp,gas	771.16	J/mol×K	799.94	Joback Calculated Property
Cp,gas	785.70	J/mol×K	829.67	Joback Calculated Property
Cp,gas	799.52	J/mol×K	859.40	Joback Calculated Property
Cp,gas	812.65	J/mol×K	889.12	Joback Calculated Property
η	[0.0001030; 0.0014156]	Pa×s	[415.68; 710.75]
η	0.0014156	Pa×s	415.68	Joback Calculated Property
η	0.0007260	Pa×s	464.86	Joback Calculated Property
η	0.0004231	Pa×s	514.04	Joback Calculated Property
η	0.0002709	Pa×s	563.22	Joback Calculated Property
η	0.0001864	Pa×s	612.39	Joback Calculated Property
η	0.0001355	Pa×s	661.57	Joback Calculated Property
η	0.0001030	Pa×s	710.75	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[482.92; 651.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62950e+01
Coefficient B			-5.88592e+03
Coefficient C			-1.15220e+02
Temperature range, min.			482.92
Temperature range, max.			651.11
Pvap	1.33	kPa	482.92	Calculated Property
Pvap	2.89	kPa	501.61	Calculated Property
Pvap	5.84	kPa	520.30	Calculated Property
Pvap	11.08	kPa	538.98	Calculated Property
Pvap	19.93	kPa	557.67	Calculated Property
Pvap	34.16	kPa	576.36	Calculated Property
Pvap	56.16	kPa	595.05	Calculated Property
Pvap	88.95	kPa	613.73	Calculated Property
Pvap	136.27	kPa	632.42	Calculated Property
Pvap	202.66	kPa	651.11	Calculated Property

Similar Compounds

Find more compounds similar to 14-methylpentadecanoic 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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