Chemical Properties of Propanoic acid, 3-chloro-, decyl ester (CAS 74306-06-2)

InChI

InChI=1S/C13H25ClO2/c1-2-3-4-5-6-7-8-9-12-16-13(15)10-11-14/h2-12H2,1H3

InChI Key

HOFHJGXZUUNNDQ-UHFFFAOYSA-N

Formula

C13H25ClO2

SMILES

CCCCCCCCCCOC(=O)CCCl

Molecular Weight¹

248.79

CAS

74306-06-2

Other Names

• 3-Chloropropionic acid, decyl ester
• Decyl 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	0.7662		Relay (1.0) Calculated Property
ΔfH°gas	-656.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.99	kJ/mol	Joback Calculated Property
ΔvapH°	79.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	4.299		Crippen Calculated Property
McVol	213.710	ml/mol	McGowan Calculated Property
Pc	1602.56	kPa	Joback Calculated Property
Inp	[1681.00; 1712.00]
Inp	Outlier 1681.00		NIST
Inp	1691.00		NIST
Inp	1696.00		NIST
Inp	1700.00		NIST
Inp	1701.00		NIST
Inp	1700.00		NIST
Inp	1708.00		NIST
Inp	1712.00		NIST
Inp	1704.00		NIST
I	[2170.00; 2204.00]
I	2170.00		NIST
I	2174.00		NIST
I	2186.00		NIST
I	2194.00		NIST
I	2204.00		NIST
Tboil	557.17	K	Relay (1.0) Calculated Property
Tc	745.84	K	Relay (1.0) Calculated Property
Tfus	261.86	K	Relay (1.0) Calculated Property
Vc	0.814	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	[541.02; 626.00]	J/mol×K	[592.69; 763.73]
Cp,gas	541.02	J/mol×K	592.69	Joback Calculated Property
Cp,gas	556.89	J/mol×K	621.20	Joback Calculated Property
Cp,gas	572.06	J/mol×K	649.70	Joback Calculated Property
Cp,gas	586.55	J/mol×K	678.21	Joback Calculated Property
Cp,gas	600.35	J/mol×K	706.72	Joback Calculated Property
Cp,gas	613.50	J/mol×K	735.23	Joback Calculated Property
Cp,gas	626.00	J/mol×K	763.73	Joback Calculated Property
η	[0.0001452; 0.0037685]	Pa×s	[308.52; 592.69]
η	0.0037685	Pa×s	308.52	Joback Calculated Property
η	0.0015261	Pa×s	355.88	Joback Calculated Property
η	0.0007643	Pa×s	403.24	Joback Calculated Property
η	0.0004426	Pa×s	450.61	Joback Calculated Property
η	0.0002844	Pa×s	497.97	Joback Calculated Property
η	0.0001973	Pa×s	545.33	Joback Calculated Property
η	0.0001452	Pa×s	592.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-chloro-, 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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