Chemical Properties of Chloroacetic acid, 2-propylphenyl ester

InChI

InChI=1S/C11H13ClO2/c1-2-5-9-6-3-4-7-10(9)14-11(13)8-12/h3-4,6-7H,2,5,8H2,1H3

InChI Key

ANQHZAYNNOSUGR-UHFFFAOYSA-N

Formula

C11H13ClO2

SMILES

CCCc1ccccc1OC(=O)CCl

Molecular Weight¹

212.68

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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.
• 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	0.6071		Relay (1.0) Calculated Property
ΔfusH°	24.88	kJ/mol	Joback Calculated Property
ΔvapH°	64.18	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.783		Crippen Calculated Property
McVol	161.770	ml/mol	McGowan Calculated Property
Pc	2632.55	kPa	Joback Calculated Property
Inp	[1527.00; 1527.00]
Inp	1527.00		NIST
Inp	1527.00		NIST
Tboil	543.19	K	Relay (1.0) Calculated Property
Tc	768.35	K	Relay (1.0) Calculated Property
Tfus	286.43	K	Relay (1.0) Calculated Property
Vc	0.577	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.82; 441.35]	J/mol×K	[596.46; 810.87]
Cp,gas	372.82	J/mol×K	596.46	Joback Calculated Property
Cp,gas	386.14	J/mol×K	632.19	Joback Calculated Property
Cp,gas	398.67	J/mol×K	667.93	Joback Calculated Property
Cp,gas	410.44	J/mol×K	703.66	Joback Calculated Property
Cp,gas	421.46	J/mol×K	739.40	Joback Calculated Property
Cp,gas	431.76	J/mol×K	775.13	Joback Calculated Property
Cp,gas	441.35	J/mol×K	810.87	Joback Calculated Property
η	[0.0001915; 0.0016178]	Pa×s	[354.75; 596.46]
η	0.0016178	Pa×s	354.75	Joback Calculated Property
η	0.0009457	Pa×s	395.04	Joback Calculated Property
η	0.0006105	Pa×s	435.32	Joback Calculated Property
η	0.0004245	Pa×s	475.61	Joback Calculated Property
η	0.0003124	Pa×s	515.89	Joback Calculated Property
η	0.0002403	Pa×s	556.17	Joback Calculated Property
η	0.0001915	Pa×s	596.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chloroacetic acid, 2-propylphenyl ester.

Sources

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

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