Chemical Properties of 3-Chloropropionic acid, tetradecyl ester (CAS 64120-16-7)

InChI

InChI=1S/C17H33ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17(19)14-15-18/h2-16H2,1H3

InChI Key

KUZUNHDCZIJWAO-UHFFFAOYSA-N

Formula

C17H33ClO2

SMILES

CCCCCCCCCCCCCCOC(=O)CCCl

Molecular Weight¹

304.90

CAS

64120-16-7

Other Names

• Propanoic acid, 3-chloro, tetradecyl ester
• Tetradecyl 3-chloropropanoate

• 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).
• 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	0.9074		Relay (1.0) Calculated Property
ΔfH°gas	-740.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.35	kJ/mol	Joback Calculated Property
ΔvapH°	96.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.88	eV	Relay (1.0) Calculated Property
log10WS	-6.23		Relay (1.0) Calculated Property
logPoct/wat	5.860		Crippen Calculated Property
McVol	270.070	ml/mol	McGowan Calculated Property
Pc	1203.96	kPa	Joback Calculated Property
Inp	[2096.00; 2113.00]
Inp	2096.00		NIST
Inp	2105.00		NIST
Inp	2104.00		NIST
Inp	2106.00		NIST
Inp	2113.00		NIST
Inp	2110.00		NIST
Inp	2105.00		NIST
Inp	2096.00		NIST
Inp	2110.00		NIST
I	[2572.00; 2613.00]
I	2572.00		NIST
I	2587.00		NIST
I	2602.00		NIST
I	2613.00		NIST
I	2572.00		NIST
Tboil	590.22	K	Relay (1.0) Calculated Property
Tc	783.86	K	Relay (1.0) Calculated Property
Tfus	287.23	K	Relay (1.0) Calculated Property
Vc	1.038	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	[759.25; 853.45]	J/mol×K	[684.21; 854.35]
Cp,gas	759.25	J/mol×K	684.21	Joback Calculated Property
Cp,gas	776.98	J/mol×K	712.57	Joback Calculated Property
Cp,gas	793.87	J/mol×K	740.92	Joback Calculated Property
Cp,gas	809.94	J/mol×K	769.28	Joback Calculated Property
Cp,gas	825.22	J/mol×K	797.64	Joback Calculated Property
Cp,gas	839.71	J/mol×K	825.99	Joback Calculated Property
Cp,gas	853.45	J/mol×K	854.35	Joback Calculated Property
η	[0.0000867; 0.0025428]	Pa×s	[353.60; 684.21]
η	0.0025428	Pa×s	353.60	Joback Calculated Property
η	0.0009907	Pa×s	408.70	Joback Calculated Property
η	0.0004829	Pa×s	463.80	Joback Calculated Property
η	0.0002742	Pa×s	518.90	Joback Calculated Property
η	0.0001735	Pa×s	574.01	Joback Calculated Property
η	0.0001190	Pa×s	629.11	Joback Calculated Property
η	0.0000867	Pa×s	684.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloropropionic 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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