Chemical Properties of tetradecyl acetate (CAS 638-59-5)

InChI

InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3

InChI Key

IOUUIFSIQMVYKP-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCCCCCCCCCCCCCOC(C)=O

Molecular Weight¹

256.42

CAS

638-59-5

Other Names

• 1-tetradecanol, acetate
• 1-tetradecyl acetate
• acetic acid, tetradecyl ester
• myristyl acetate
• tetradecyl ethanoate

• 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).
• 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_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	0.8249		Relay (1.0) Calculated Property
ΔfG°	-226.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-702.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.56	kJ/mol	Joback Calculated Property
ΔvapH°	[89.90; 91.70]	kJ/mol
ΔvapH°	89.90 ± 0.20	kJ/mol	NIST
ΔvapH°	91.70	kJ/mol	NIST
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-5.71		Relay (1.0) Calculated Property
logPoct/wat	5.251		Crippen Calculated Property
McVol	243.740	ml/mol	McGowan Calculated Property
Pc	1323.28	kPa	Joback Calculated Property
Inp	[1757.00; 1812.00]
Inp	1806.20		NIST
Inp	1796.00		NIST
Inp	1797.00		NIST
Inp	1795.00		NIST
Inp	1793.00		NIST
Inp	1800.00		NIST
Inp	1780.00		NIST
Inp	1790.60		NIST
Inp	Outlier 1757.00		NIST
Inp	1790.00		NIST
Inp	1811.00		NIST
Inp	1806.20		NIST
Inp	1810.00		NIST
Inp	1796.00		NIST
Inp	1793.00		NIST
Inp	1812.00		NIST
Inp	1811.00		NIST
Inp	1792.00		NIST
Inp	1811.00		NIST
Inp	1812.00		NIST
Inp	1797.00		NIST
Inp	1790.60		NIST
Ip	[2062.00; 2106.00]
Ip	2098.00		NIST
Ip	2094.00		NIST
Ip	2103.00		NIST
Ip	2100.00		NIST
Ip	2106.00		NIST
Ip	Outlier 2062.00		NIST
Ip	2087.00		NIST
Ip	2098.00		NIST
Ip	2094.00		NIST
Ip	2087.00		NIST
Tboil	564.04	K	Relay (1.0) Calculated Property
Tc	739.72	K	Relay (1.0) Calculated Property
Tfus	287.15 ± 0.20	K	NIST
Vc	0.961	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	72.70	kJ/mol	436.50	NIST
Pvap	[4.00e-05; 1.86e-03]	kPa	[303.10; 340.50]
Pvap	4.00e-05	kPa	303.10	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	6.00e-05	kPa	306.10	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	9.00e-05	kPa	310.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.30e-04	kPa	313.20	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.80e-04	kPa	316.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	2.40e-04	kPa	319.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	3.30e-04	kPa	322.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	4.50e-04	kPa	325.30	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	6.00e-04	kPa	328.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	7.80e-04	kPa	331.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.05e-03	kPa	334.40	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.40e-03	kPa	337.50	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
Pvap	1.86e-03	kPa	340.50	Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.24; 852.89]	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			1.37530e+01
Coefficient B			1.46904e+00
Coefficient C			-7.52000e-04
Coefficient D			1.22100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	361.24	J/mol×K	273.00	Calculated Property
Cp,gas	444.75	J/mol×K	353.78	Calculated Property
Cp,gas	520.15	J/mol×K	434.56	Calculated Property
Cp,gas	587.80	J/mol×K	515.33	Calculated Property
Cp,gas	648.11	J/mol×K	596.11	Calculated Property
Cp,gas	701.45	J/mol×K	676.89	Calculated Property
Cp,gas	748.21	J/mol×K	757.67	Calculated Property
Cp,gas	788.78	J/mol×K	838.44	Calculated Property
Cp,gas	823.55	J/mol×K	919.22	Calculated Property
Cp,gas	852.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070042; 0.0001753]	Pa×s	[287.15; 552.09]	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			-1.26461e+01
Coefficient B			2.20672e+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.			287.15
Temperature range, max.			552.09
η	0.0070042	Pa×s	287.15	Calculated Property
η	0.0034278	Pa×s	316.59	Calculated Property
η	0.0018945	Pa×s	346.03	Calculated Property
η	0.0011490	Pa×s	375.46	Calculated Property
η	0.0007495	Pa×s	404.90	Calculated Property
η	0.0005180	Pa×s	434.34	Calculated Property
η	0.0003752	Pa×s	463.78	Calculated Property
η	0.0002825	Pa×s	493.22	Calculated Property
η	0.0002195	Pa×s	522.65	Calculated Property
η	0.0001753	Pa×s	552.09	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[472.12; 594.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.00994e+01
Coefficient B			-7.13143e+03
Coefficient C			-1.12162e+02
Temperature range, min.			472.12
Temperature range, max.			594.41
Pvap	1.33	kPa	472.12	Calculated Property
Pvap	2.74	kPa	485.71	Calculated Property
Pvap	5.36	kPa	499.30	Calculated Property
Pvap	10.00	kPa	512.88	Calculated Property
Pvap	17.93	kPa	526.47	Calculated Property
Pvap	30.98	kPa	540.06	Calculated Property
Pvap	51.73	kPa	553.65	Calculated Property
Pvap	83.80	kPa	567.23	Calculated Property
Pvap	132.00	kPa	580.82	Calculated Property
Pvap	202.66	kPa	594.41	Calculated Property

Similar Compounds

Find more compounds similar to tetradecyl acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl acetates
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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