Chemical Properties of Butanoic acid, 2-chloro, 2-methylpropyl ester (CAS 22710-13-0)

InChI

InChI=1S/C8H15ClO2/c1-4-7(9)8(10)11-5-6(2)3/h6-7H,4-5H2,1-3H3

InChI Key

YJVGEKBXSUEJIN-UHFFFAOYSA-N

Formula

C8H15ClO2

SMILES

CCC(Cl)C(=O)OCC(C)C

Molecular Weight¹

178.66

CAS

22710-13-0

Other Names

• Isobutyl 2-chlorobutyrate

• ω : Acentric Factor.
• 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_fH°_liquid : Liquid phase 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	0.4857		Relay (1.0) Calculated Property
ΔcH°liquid	[-4653.90; -4644.70]	kJ/mol
ΔcH°liquid	-4653.90 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-4644.70	kJ/mol	NIST
ΔfH°gas	-609.20 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-661.50 ± 8.40	kJ/mol	NIST
ΔfusH°	18.00	kJ/mol	Joback Calculated Property
ΔvapH°	52.30 ± 4.20	kJ/mol	NIST
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-2.57		Relay (1.0) Calculated Property
logPoct/wat	2.203		Crippen Calculated Property
McVol	143.260	ml/mol	McGowan Calculated Property
Pc	2495.01	kPa	Joback Calculated Property
Inp	[1065.00; 1089.00]
Inp	1069.00		NIST
Inp	1065.00		NIST
Inp	1089.00		NIST
Inp	1080.00		NIST
Inp	1076.00		NIST
I	[1403.00; 1431.00]
I	1413.00		NIST
I	1431.00		NIST
I	1406.00		NIST
I	1403.00		NIST
Tboil	451.25	K	Relay (1.0) Calculated Property
Tc	644.87	K	Relay (1.0) Calculated Property
Tfus	232.19	K	Relay (1.0) Calculated Property
Vc	0.532	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	[303.43; 372.12]	J/mol×K	[477.41; 662.99]
Cp,gas	303.43	J/mol×K	477.41	Joback Calculated Property
Cp,gas	316.25	J/mol×K	508.34	Joback Calculated Property
Cp,gas	328.51	J/mol×K	539.27	Joback Calculated Property
Cp,gas	340.22	J/mol×K	570.20	Joback Calculated Property
Cp,gas	351.39	J/mol×K	601.13	Joback Calculated Property
Cp,gas	362.02	J/mol×K	632.06	Joback Calculated Property
Cp,gas	372.12	J/mol×K	662.99	Joback Calculated Property
η	[0.0002213; 0.0132478]	Pa×s	[222.17; 477.41]
η	0.0132478	Pa×s	222.17	Joback Calculated Property
η	0.0038724	Pa×s	264.71	Joback Calculated Property
η	0.0015912	Pa×s	307.25	Joback Calculated Property
η	0.0008117	Pa×s	349.79	Joback Calculated Property
η	0.0004792	Pa×s	392.33	Joback Calculated Property
η	0.0003136	Pa×s	434.87	Joback Calculated Property
η	0.0002213	Pa×s	477.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-chloro, 2-methylpropyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.