Chemical Properties of 2- Chloropropionic acid, decyl ester (CAS 86711-78-6)

InChI

InChI=1S/C13H25ClO2/c1-3-4-5-6-7-8-9-10-11-16-13(15)12(2)14/h12H,3-11H2,1-2H3

InChI Key

ZULQXFOAUSXCIJ-UHFFFAOYSA-N

Formula

C13H25ClO2

SMILES

CCCCCCCCCCOC(=O)C(C)Cl

Molecular Weight¹

248.79

CAS

86711-78-6

Other Names

• Propanoic acid, 2-chloro, decyl ester
• Decyl 2-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	0.7191		Relay (1.0) Calculated Property
ΔfH°gas	-673.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.47	kJ/mol	Joback Calculated Property
ΔvapH°	74.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.98	eV	Relay (1.0) Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	4.298		Crippen Calculated Property
McVol	213.710	ml/mol	McGowan Calculated Property
Pc	1612.88	kPa	Joback Calculated Property
Inp	[1612.00; 1644.00]
Inp	1612.00		NIST
Inp	1620.00		NIST
Inp	1623.00		NIST
Inp	1627.00		NIST
Inp	1629.00		NIST
Inp	1625.00		NIST
Inp	1635.00		NIST
Inp	1644.00		NIST
Inp	1633.00		NIST
Inp	1642.60		NIST
Inp	1612.00		NIST
Inp	1625.00		NIST
I	[1966.00; 2037.00]
I	1981.00		NIST
I	1966.00		NIST
I	2013.00		NIST
I	2014.00		NIST
I	2022.00		NIST
I	2030.00		NIST
I	2037.00		NIST
Tboil	535.26	K	Relay (1.0) Calculated Property
Tc	727.75	K	Relay (1.0) Calculated Property
Tfus	265.32	K	Relay (1.0) Calculated Property
Vc	0.817	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	[541.37; 627.77]	J/mol×K	[592.25; 766.13]
Cp,gas	541.37	J/mol×K	592.25	Joback Calculated Property
Cp,gas	557.55	J/mol×K	621.23	Joback Calculated Property
Cp,gas	573.00	J/mol×K	650.21	Joback Calculated Property
Cp,gas	587.74	J/mol×K	679.19	Joback Calculated Property
Cp,gas	601.77	J/mol×K	708.17	Joback Calculated Property
Cp,gas	615.11	J/mol×K	737.15	Joback Calculated Property
Cp,gas	627.77	J/mol×K	766.13	Joback Calculated Property
η	[0.0001357; 0.0053050]	Pa×s	[293.52; 592.25]
η	0.0053050	Pa×s	293.52	Joback Calculated Property
η	0.0018488	Pa×s	343.31	Joback Calculated Property
η	0.0008416	Pa×s	393.10	Joback Calculated Property
η	0.0004572	Pa×s	442.88	Joback Calculated Property
η	0.0002810	Pa×s	492.67	Joback Calculated Property
η	0.0001888	Pa×s	542.46	Joback Calculated Property
η	0.0001357	Pa×s	592.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2- Chloropropionic acid, decyl 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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