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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.34; 796.97]	J/mol×K	[643.46; 810.21]
Cp,gas	700.34	J/mol×K	643.46	Joback Calculated Property
Cp,gas	718.41	J/mol×K	671.25	Joback Calculated Property
Cp,gas	735.66	J/mol×K	699.04	Joback Calculated Property
Cp,gas	752.13	J/mol×K	726.84	Joback Calculated Property
Cp,gas	767.82	J/mol×K	754.63	Joback Calculated Property
Cp,gas	782.76	J/mol×K	782.42	Joback Calculated Property
Cp,gas	796.97	J/mol×K	810.21	Joback Calculated Property
η	[0.0001023; 0.0032882]	Pa×s	[321.92; 643.46]
η	0.0032882	Pa×s	321.92	Joback Calculated Property
η	0.0012204	Pa×s	375.51	Joback Calculated Property
η	0.0005802	Pa×s	429.10	Joback Calculated Property
η	0.0003254	Pa×s	482.69	Joback Calculated Property
η	0.0002048	Pa×s	536.28	Joback Calculated Property
η	0.0001402	Pa×s	589.87	Joback Calculated Property
η	0.0001023	Pa×s	643.46	Joback Calculated Property
ΔvapH	69.40	kJ/mol	529.50	NIST

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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