Chemical Properties of Heptadecanoic acid, ethyl ester (CAS 14010-23-2)

InChI

InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3

InChI Key

KNXMUFRWYNVISA-UHFFFAOYSA-N

Formula

C19H38O2

SMILES

CCCCCCCCCCCCCCCCC(=O)OCC

Molecular Weight¹

298.51

CAS

14010-23-2

Other Names

• Ethyl heptadecanoate
• Ethyl n-heptadecanoate

• 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_fusH : Enthalpy of fusion at a given temperature (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_np : Non-polar retention indices.
• I : 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9271		Relay (1.0) Calculated Property
ΔfG°	-201.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-760.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.33	kJ/mol	Joback Calculated Property
ΔvapH°	100.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	6.421		Crippen Calculated Property
McVol	286.010	ml/mol	McGowan Calculated Property
Pc	1084.20	kPa	Joback Calculated Property
Inp	[2074.00; 2098.00]
Inp	2074.00		NIST
Inp	2074.00		NIST
Inp	2078.00		NIST
Inp	2082.00		NIST
Inp	2077.00		NIST
Inp	2098.00		NIST
Inp	2089.00		NIST
Inp	2075.00		NIST
Inp	2098.00		NIST
I	[2330.00; 2383.00]
I	2342.00		NIST
I	2348.00		NIST
I	2343.00		NIST
I	2359.00		NIST
I	2357.00		NIST
I	2370.00		NIST
I	2349.00		NIST
I	2330.00		NIST
I	2355.00		NIST
I	2349.00		NIST
I	2340.00		NIST
I	2383.00		NIST
I	2365.00		NIST
I	2342.00		NIST
I	2370.00		NIST
I	2383.00		NIST
Tboil	584.35	K	Relay (1.0) Calculated Property
Tc	767.68	K	Relay (1.0) Calculated Property
Tfus	300.40	K	Relay (1.0) Calculated Property
Vc	1.131	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.88; 1007.67]	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			1.10260e+01
Coefficient B			1.75404e+00
Coefficient C			-9.15200e-04
Coefficient D			1.57800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	424.88	J/mol×K	273.00	Calculated Property
Cp,gas	524.01	J/mol×K	353.78	Calculated Property
Cp,gas	613.38	J/mol×K	434.56	Calculated Property
Cp,gas	693.49	J/mol×K	515.33	Calculated Property
Cp,gas	764.84	J/mol×K	596.11	Calculated Property
Cp,gas	827.93	J/mol×K	676.89	Calculated Property
Cp,gas	883.26	J/mol×K	757.67	Calculated Property
Cp,gas	931.33	J/mol×K	838.44	Calculated Property
Cp,gas	972.63	J/mol×K	919.22	Calculated Property
Cp,gas	1007.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027352; 0.0001294]	Pa×s	[346.22; 601.44]	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			-1.30912e+01
Coefficient B			2.48920e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			346.22
Temperature range, max.			601.44
η	0.0027352	Pa×s	346.22	Calculated Property
η	0.0015871	Pa×s	374.58	Calculated Property
η	0.0009942	Pa×s	402.94	Calculated Property
η	0.0006624	Pa×s	431.29	Calculated Property
η	0.0004639	Pa×s	459.65	Calculated Property
η	0.0003387	Pa×s	488.01	Calculated Property
η	0.0002559	Pa×s	516.37	Calculated Property
η	0.0001991	Pa×s	544.72	Calculated Property
η	0.0001588	Pa×s	573.08	Calculated Property
η	0.0001294	Pa×s	601.44	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[502.12; 637.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.94072e+01
Coefficient B			-7.24324e+03
Coefficient C			-1.23282e+02
Temperature range, min.			502.12
Temperature range, max.			637.14
Pvap	1.33	kPa	502.12	Calculated Property
Pvap	2.76	kPa	517.12	Calculated Property
Pvap	5.42	kPa	532.12	Calculated Property
Pvap	10.15	kPa	547.13	Calculated Property
Pvap	18.21	kPa	562.13	Calculated Property
Pvap	31.43	kPa	577.13	Calculated Property
Pvap	52.37	kPa	592.13	Calculated Property
Pvap	84.55	kPa	607.14	Calculated Property
Pvap	132.62	kPa	622.14	Calculated Property
Pvap	202.64	kPa	637.14	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecanoic acid, ethyl 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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