Chemical Properties of 2-Propenoic acid, tetradecyl ester (CAS 21643-42-5)

InChI

InChI=1S/C17H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h4H,2-3,5-16H2,1H3

InChI Key

XZHNPVKXBNDGJD-UHFFFAOYSA-N

Formula

C17H32O2

SMILES

C=CC(=O)OCCCCCCCCCCCCCC

Molecular Weight¹

268.43

CAS

21643-42-5

Other Names

• 2-Propenoic acid, n-tetradecyl ester
• Tetradecyl acrylate

• 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).
• I_np : Non-polar retention indices.
• 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	0.8732		Relay (1.0) Calculated Property
ΔfH°gas	-601.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.88	kJ/mol	Joback Calculated Property
ΔvapH°	89.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.94	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	5.417		Crippen Calculated Property
McVol	253.530	ml/mol	McGowan Calculated Property
Pc	1272.78	kPa	Joback Calculated Property
Inp	1876.00		NIST
I	[2201.00; 2201.00]
I	2201.00		NIST
I	2201.00		NIST
Tboil	576.73	K	Relay (1.0) Calculated Property
Tc	758.14	K	Relay (1.0) Calculated Property
Tfus	287.00 ± 3.00	K	NIST
Vc	0.978	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	[372.64; 875.97]	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			9.85300e+00
Coefficient B			1.54402e+00
Coefficient C			-8.29300e-04
Coefficient D			1.51400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.64	J/mol×K	273.00	Calculated Property
Cp,gas	459.00	J/mol×K	353.78	Calculated Property
Cp,gas	536.64	J/mol×K	434.56	Calculated Property
Cp,gas	606.02	J/mol×K	515.33	Calculated Property
Cp,gas	667.64	J/mol×K	596.11	Calculated Property
Cp,gas	721.97	J/mol×K	676.89	Calculated Property
Cp,gas	769.49	J/mol×K	757.67	Calculated Property
Cp,gas	810.68	J/mol×K	838.44	Calculated Property
Cp,gas	846.01	J/mol×K	919.22	Calculated Property
Cp,gas	875.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0076549; 0.0001632]	Pa×s	[287.00; 567.15]	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			-1.26624e+01
Coefficient B			2.23572e+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.			287.00
Temperature range, max.			567.15
η	0.0076549	Pa×s	287.00	Calculated Property
η	0.0035720	Pa×s	318.13	Calculated Property
η	0.0019094	Pa×s	349.26	Calculated Property
η	0.0011308	Pa×s	380.38	Calculated Property
η	0.0007249	Pa×s	411.51	Calculated Property
η	0.0004947	Pa×s	442.64	Calculated Property
η	0.0003550	Pa×s	473.77	Calculated Property
η	0.0002654	Pa×s	504.89	Calculated Property
η	0.0002052	Pa×s	536.02	Calculated Property
η	0.0001632	Pa×s	567.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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