Chemical Properties of Butanoic acid, 2-chloro- (CAS 4170-24-5)

InChI

InChI=1S/C4H7ClO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)

InChI Key

RVBUZBPJAGZHSQ-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

CCC(Cl)C(=O)O

Molecular Weight¹

122.55

CAS

4170-24-5

Other Names

• Butyric acid, 2-chloro-
• «alpha»-Chlorobutyric acid
• 2-Chlorobutyric acid
• 2-Chlorobutanoic acid
• «alpha»-Chloro-n-butyric acid

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-2022.50; -2018.00]	kJ/mol
ΔcH°liquid	-2022.50 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-2018.00	kJ/mol	NIST
ΔfH°gas	-528.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.93	kJ/mol	Joback Calculated Property
ΔvapH°	63.08	kJ/mol	Relay (1.0) Calculated Property
IE	10.56	eV	Relay (1.0) Calculated Property
log10WS	-0.29		Relay (1.0) Calculated Property
logPoct/wat	1.088		Crippen Calculated Property
McVol	86.900	ml/mol	McGowan Calculated Property
Tboil	455.34	K	Relay (1.0) Calculated Property
Tfus	255.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[169.61; 207.72]	J/mol×K	[473.62; 677.75]
Cp,gas	169.61	J/mol×K	473.62	Joback Calculated Property
Cp,gas	176.94	J/mol×K	507.64	Joback Calculated Property
Cp,gas	183.86	J/mol×K	541.66	Joback Calculated Property
Cp,gas	190.37	J/mol×K	575.68	Joback Calculated Property
Cp,gas	196.51	J/mol×K	609.71	Joback Calculated Property
Cp,gas	202.29	J/mol×K	643.73	Joback Calculated Property
Cp,gas	207.72	J/mol×K	677.75	Joback Calculated Property
η	[0.0003352; 0.0021309]	Pa×s	[310.36; 473.62]
η	0.0021309	Pa×s	310.36	Joback Calculated Property
η	0.0013827	Pa×s	337.57	Joback Calculated Property
η	0.0009571	Pa×s	364.78	Joback Calculated Property
η	0.0006972	Pa×s	391.99	Joback Calculated Property
η	0.0005291	Pa×s	419.20	Joback Calculated Property
η	0.0004154	Pa×s	446.41	Joback Calculated Property
η	0.0003352	Pa×s	473.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-chloro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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