Chemical Properties of Tetradecanoic acid, 1-methylethyl ester (CAS 110-27-0)

InChI

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

InChI Key

AXISYYRBXTVTFY-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CCCCCCCCCCCCCC(=O)OC(C)C

Molecular Weight¹

270.46

CAS

110-27-0

Other Names

• 1-Tridecanecarboxylic acid, isopropyl ester
• 1-methylethyl tetradecanoate
• Bisomel
• Crodamol I.P.M.
• Crodamol IPM
• D 50
• Deltyl Extra
• Emcol-IM
• Emerest 2314
• Estergel
• IPM
• Isomyst
• Ja-fa IPM
• Kessco IPM
• Kessco isopropyl myristate
• Kesscomir
• Lexol IPM
• Liponate IPM
• Methylethyl tetradecanoate
• NSC 406280
• Plymoutm IPM
• Promyr
• Radia 7190
• Sinnoester MIP
• Starfol IPM
• Stepan D-50
• Tegester
• Tegosoft M
• Tetradecanoic acid methyethyl ester
• Tetradecanoic acid, isopropyl
• Tetradecanoic acid, isopropyl ester
• Unimate IPM
• Wickenol 101
• iso-Propyl N-tetradecanoate
• isopropyl myristate
• isopropyl tetradecanoate
• myristic acid, isopropyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8332		Relay (1.0) Calculated Property
ΔfH°gas	-730.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.63	kJ/mol	Joback Calculated Property
ΔvapH°	86.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	5.639		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1242.46	kPa	Joback Calculated Property
Inp	[1809.00; 1837.00]
Inp	1812.80		NIST
Inp	1836.00		NIST
Inp	1827.00		NIST
Inp	1823.00		NIST
Inp	1812.00		NIST
Inp	1830.00		NIST
Inp	1829.00		NIST
Inp	1817.00		NIST
Inp	1812.00		NIST
Inp	1831.00		NIST
Inp	1827.00		NIST
Inp	1827.00		NIST
Inp	1824.00		NIST
Inp	1817.00		NIST
Inp	1824.10		NIST
Inp	1826.00		NIST
Inp	1816.00		NIST
Inp	1818.00		NIST
Inp	1835.00		NIST
Inp	1828.00		NIST
Inp	1832.00		NIST
Inp	1828.40		NIST
Inp	1837.00		NIST
Inp	1812.00		NIST
Inp	1812.00		NIST
Inp	1818.00		NIST
Inp	1818.00		NIST
Inp	1827.00		NIST
Inp	1826.00		NIST
Inp	1826.00		NIST
Inp	1832.00		NIST
Inp	1813.00		NIST
Inp	1827.00		NIST
Inp	1827.00		NIST
Inp	1827.00		NIST
Inp	1832.00		NIST
Inp	1836.00		NIST
Inp	1832.00		NIST
Inp	1830.00		NIST
Inp	1827.00		NIST
Inp	1814.00		NIST
Inp	1830.00		NIST
Inp	1832.00		NIST
Inp	1809.00		NIST
Inp	1812.80		NIST
Inp	1836.00		NIST
Ip	[2017.00; 2063.00]
Ip	2041.00		NIST
Ip	2023.00		NIST
Ip	2017.00		NIST
Ip	2063.00		NIST
Ip	2023.00		NIST
Ip	2024.00		NIST
Ip	2026.00		NIST
Ip	2027.00		NIST
Ip	2040.00		NIST
Ip	2045.00		NIST
Ip	2063.00		NIST
Ip	2040.00		NIST
Tboil	541.55	K	Relay (1.0) Calculated Property
Tc	734.23	K	Relay (1.0) Calculated Property
Tfus	276.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[382.14; 905.02]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.11620e+01
Coefficient B			1.56996e+00
Coefficient C			-8.09600e-04
Coefficient D			1.33500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.14	J/mol×K	273.00	Calculated Property
Cp,gas	471.16	J/mol×K	353.78	Calculated Property
Cp,gas	551.47	J/mol×K	434.56	Calculated Property
Cp,gas	623.48	J/mol×K	515.33	Calculated Property
Cp,gas	687.62	J/mol×K	596.11	Calculated Property
Cp,gas	744.31	J/mol×K	676.89	Calculated Property
Cp,gas	793.98	J/mol×K	757.67	Calculated Property
Cp,gas	837.03	J/mol×K	838.44	Calculated Property
Cp,gas	873.91	J/mol×K	919.22	Calculated Property
Cp,gas	905.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0115978; 0.0001480]	Pa×s	[276.15; 569.37]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.29259e+01
Coefficient B			2.33870e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			276.15
Temperature range, max.			569.37
η	0.0115978	Pa×s	276.15	Calculated Property
η	0.0047451	Pa×s	308.73	Calculated Property
η	0.0023025	Pa×s	341.31	Calculated Property
η	0.0012674	Pa×s	373.89	Calculated Property
η	0.0007677	Pa×s	406.47	Calculated Property
η	0.0005009	Pa×s	439.05	Calculated Property
η	0.0003467	Pa×s	471.63	Calculated Property
η	0.0002516	Pa×s	504.21	Calculated Property
η	0.0001899	Pa×s	536.79	Calculated Property
η	0.0001480	Pa×s	569.37	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[461.80; 615.42]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68406e+01
Coefficient B			-5.83543e+03
Coefficient C			-1.09270e+02
Temperature range, min.			461.80
Temperature range, max.			615.42
Pvap	1.33	kPa	461.80	Calculated Property
Pvap	2.86	kPa	478.87	Calculated Property
Pvap	5.75	kPa	495.94	Calculated Property
Pvap	10.88	kPa	513.01	Calculated Property
Pvap	19.56	kPa	530.08	Calculated Property
Pvap	33.58	kPa	547.14	Calculated Property
Pvap	55.36	kPa	564.21	Calculated Property
Pvap	88.03	kPa	581.28	Calculated Property
Pvap	135.53	kPa	598.35	Calculated Property
Pvap	202.67	kPa	615.42	Calculated Property
Pvap	[0.27; 2.66]	kPa	[413.40; 465.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.79918e+01
Coefficient B			-7.50542e+03
Coefficient C			-2.46810e+01
Reference			Bonhorst, Althouse, et al., 1948
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			413.40
Temperature range, max.			465.80
Pvap	0.27	kPa	413.40	Calculated Property
Pvap	0.36	kPa	419.22	Calculated Property
Pvap	0.47	kPa	425.04	Calculated Property
Pvap	0.62	kPa	430.87	Calculated Property
Pvap	0.80	kPa	436.69	Calculated Property
Pvap	1.03	kPa	442.51	Calculated Property
Pvap	1.32	kPa	448.33	Calculated Property
Pvap	1.68	kPa	454.16	Calculated Property
Pvap	2.12	kPa	459.98	Calculated Property
Pvap	2.66	kPa	465.80	Calculated Property
Pvap	[0.26; 2.67]	kPa	[420.00; 473.40]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.03287e+01
Coefficient B			-9.67610e+03
Coefficient C			2.67680e+01
Reference			Bonhorst, Althouse, et al., 1948
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			420.00
Temperature range, max.			473.40
Pvap	0.26	kPa	420.00	Calculated Property
Pvap	0.35	kPa	425.93	Calculated Property
Pvap	0.46	kPa	431.87	Calculated Property
Pvap	0.61	kPa	437.80	Calculated Property
Pvap	0.79	kPa	443.73	Calculated Property
Pvap	1.02	kPa	449.67	Calculated Property
Pvap	1.31	kPa	455.60	Calculated Property
Pvap	1.67	kPa	461.53	Calculated Property
Pvap	2.12	kPa	467.47	Calculated Property
Pvap	2.67	kPa	473.40	Calculated Property

Similar Compounds

Find more compounds similar to Tetradecanoic acid, 1-methylethyl ester.

Mixtures

• Naproxen + Tetradecanoic acid, 1-methylethyl ester
• Naproxen + Tetradecanoic acid, 1-methylethyl ester + Water
• Tetradecanoic acid, 1-methylethyl ester + Triclosan

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of naproxen in several organic solvents at different temperatures
• Solubility of the Antimicrobial Agent Triclosan in Organic Solvents of Different Hydrogen Bonding Capabilities at Several Temperatures
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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