Chemical Properties of 15-methylhexadecanoic acid (CAS 1603-03-8)

InChI

InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

InChI Key

IIUXHTGBZYEGHI-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CC(C)CCCCCCCCCCCCCC(=O)O

Molecular Weight¹

270.46

CAS

1603-03-8

• 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	1.0391		Relay (1.0) Calculated Property
ΔfG°	-254.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-764.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.41	kJ/mol	Joback Calculated Property
ΔvapH°	118.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.95	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	5.798		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1319.43	kPa	Joback Calculated Property
I	[2980.00; 2980.00]
I	2980.00		NIST
I	2980.00		NIST
Tboil	596.04	K	Relay (1.0) Calculated Property
Tc	795.83	K	Relay (1.0) Calculated Property
Tfus	337.84	K	Relay (1.0) Calculated Property
Vc	0.986	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[780.17; 872.02]	J/mol×K	[733.63; 912.46]
Cp,gas	780.17	J/mol×K	733.63	Joback Calculated Property
Cp,gas	797.47	J/mol×K	763.43	Joback Calculated Property
Cp,gas	813.94	J/mol×K	793.24	Joback Calculated Property
Cp,gas	829.59	J/mol×K	823.04	Joback Calculated Property
Cp,gas	844.46	J/mol×K	852.85	Joback Calculated Property
Cp,gas	858.59	J/mol×K	882.65	Joback Calculated Property
Cp,gas	872.02	J/mol×K	912.46	Joback Calculated Property
η	[0.0000902; 0.0012915]	Pa×s	[426.95; 733.63]
η	0.0012915	Pa×s	426.95	Joback Calculated Property
η	0.0006539	Pa×s	478.06	Joback Calculated Property
η	0.0003776	Pa×s	529.18	Joback Calculated Property
η	0.0002402	Pa×s	580.29	Joback Calculated Property
η	0.0001644	Pa×s	631.40	Joback Calculated Property
η	0.0001191	Pa×s	682.52	Joback Calculated Property
η	0.0000902	Pa×s	733.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[495.32; 662.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65953e+01
Coefficient B			-6.12828e+03
Coefficient C			-1.19529e+02
Temperature range, min.			495.32
Temperature range, max.			662.63
Pvap	1.33	kPa	495.32	Calculated Property
Pvap	2.88	kPa	513.91	Calculated Property
Pvap	5.79	kPa	532.50	Calculated Property
Pvap	10.97	kPa	551.09	Calculated Property
Pvap	19.72	kPa	569.68	Calculated Property
Pvap	33.83	kPa	588.27	Calculated Property
Pvap	55.71	kPa	606.86	Calculated Property
Pvap	88.43	kPa	625.45	Calculated Property
Pvap	135.84	kPa	644.04	Calculated Property
Pvap	202.64	kPa	662.63	Calculated Property

Similar Compounds

Find more compounds similar to 15-methylhexadecanoic 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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