Chemical Properties of Tetradecanoic acid, propyl ester (CAS 14303-70-9)

InChI

InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16-4-2/h3-16H2,1-2H3

InChI Key

DPBVJRXPSXTHOL-UHFFFAOYSA-N

Formula

C17H34O2

SMILES

CCCCCCCCCCCCCC(=O)OCCC

Molecular Weight¹

270.45

CAS

14303-70-9

Other Names

• Propyl myristate
• Propyl tetradecanoate

• 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.
• 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	0.8677		Relay (1.0) Calculated Property
ΔfH°gas	-713.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.15	kJ/mol	Joback Calculated Property
ΔvapH°	86.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	5.641		Crippen Calculated Property
McVol	257.830	ml/mol	McGowan Calculated Property
Pc	1235.48	kPa	Joback Calculated Property
Inp	[1859.00; 1896.00]
Inp	1896.00		NIST
Inp	1896.00		NIST
Inp	1893.00		NIST
Inp	1870.00		NIST
Inp	1859.00		NIST
Inp	1859.00		NIST
Inp	1859.00		NIST
Inp	1870.00		NIST
Inp	1893.00		NIST
Inp	1896.00		NIST
Tboil	571.72	K	Relay (1.0) Calculated Property
Tc	750.58	K	Relay (1.0) Calculated Property
Tfus	278.00	K	Relay (1.0) Calculated Property
Vc	1.014	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[382.45; 904.48]	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			1.28440e+01
Coefficient B			1.56404e+00
Coefficient C			-8.06400e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	382.45	J/mol×K	273.00	Calculated Property
Cp,gas	471.17	J/mol×K	353.78	Calculated Property
Cp,gas	551.22	J/mol×K	434.56	Calculated Property
Cp,gas	623.03	J/mol×K	515.33	Calculated Property
Cp,gas	687.02	J/mol×K	596.11	Calculated Property
Cp,gas	743.61	J/mol×K	676.89	Calculated Property
Cp,gas	793.23	J/mol×K	757.67	Calculated Property
Cp,gas	836.30	J/mol×K	838.44	Calculated Property
Cp,gas	873.24	J/mol×K	919.22	Calculated Property
Cp,gas	904.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034020; 0.0001596]	Pa×s	[323.68; 568.24]	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			-1.27919e+01
Coefficient B			2.30088e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			323.68
Temperature range, max.			568.24
η	0.0034020	Pa×s	323.68	Calculated Property
η	0.0019617	Pa×s	350.85	Calculated Property
η	0.0012244	Pa×s	378.03	Calculated Property
η	0.0008140	Pa×s	405.20	Calculated Property
η	0.0005697	Pa×s	432.37	Calculated Property
η	0.0004159	Pa×s	459.54	Calculated Property
η	0.0003145	Pa×s	486.72	Calculated Property
η	0.0002449	Pa×s	513.89	Calculated Property
η	0.0001956	Pa×s	541.06	Calculated Property
η	0.0001596	Pa×s	568.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[469.80; 612.91]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.78703e+01
Coefficient B			-6.29021e+03
Coefficient C			-1.12050e+02
Temperature range, min.			469.80
Temperature range, max.			612.91
Pvap	1.33	kPa	469.80	Calculated Property
Pvap	2.82	kPa	485.70	Calculated Property
Pvap	5.60	kPa	501.60	Calculated Property
Pvap	10.55	kPa	517.50	Calculated Property
Pvap	18.95	kPa	533.40	Calculated Property
Pvap	32.61	kPa	549.31	Calculated Property
Pvap	54.03	kPa	565.21	Calculated Property
Pvap	86.49	kPa	581.11	Calculated Property
Pvap	134.25	kPa	597.01	Calculated Property
Pvap	202.66	kPa	612.91	Calculated Property

Similar Compounds

Find more compounds similar to Tetradecanoic acid, propyl ester.

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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