Chemical Properties of Acetic acid, chloro-, isobutyl ester (CAS 13361-35-8)

InChI

InChI=1S/C6H11ClO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3

InChI Key

QSGCJQBBHYWZHS-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CC(C)COC(=O)CCl

Molecular Weight¹

150.60

CAS

13361-35-8

Other Names

• Acetic acid, chloro-, 2-methylpropyl ester
• Chloroacetic acid, 2-methylpropyl ester
• Isobutyl chloroacetate

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• P_vap : Vapor 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
ΔcH°liquid	-3399.00	kJ/mol	NIST
ΔfG°	-248.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.99	kJ/mol	Joback Calculated Property
ΔfusH°	14.76	kJ/mol	Joback Calculated Property
ΔvapH°	40.00	kJ/mol	NIST
log10WS	-1.11		Crippen Calculated Property
logPoct/wat	1.424		Crippen Calculated Property
McVol	115.080	ml/mol	McGowan Calculated Property
Pc	3166.83	kPa	Joback Calculated Property
Inp	[956.00; 988.00]
Inp	959.60		NIST
Inp	956.00		NIST
Inp	956.00		NIST
Inp	964.00		NIST
Inp	Outlier 988.00		NIST
Inp	956.00		NIST
Inp	956.00		NIST
Inp	959.60		NIST
I	[1392.00; 1392.00]
I	1392.00		NIST
I	1392.00		NIST
Tboil	449.96	K	Joback Calculated Property
Tc	638.50	K	Joback Calculated Property
Tfus	244.46	K	Joback Calculated Property
Vc	0.439	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[225.04; 278.93]	J/mol×K	[449.96; 638.50]
Cp,gas	225.04	J/mol×K	449.96	Joback Calculated Property
Cp,gas	234.96	J/mol×K	481.38	Joback Calculated Property
Cp,gas	244.50	J/mol×K	512.81	Joback Calculated Property
Cp,gas	253.66	J/mol×K	544.23	Joback Calculated Property
Cp,gas	262.46	J/mol×K	575.65	Joback Calculated Property
Cp,gas	270.88	J/mol×K	607.08	Joback Calculated Property
Cp,gas	278.93	J/mol×K	638.50	Joback Calculated Property
η	[0.0002866; 0.0043249]	Pa×s	[244.46; 449.96]
η	0.0043249	Pa×s	244.46	Joback Calculated Property
η	0.0020836	Pa×s	278.71	Joback Calculated Property
η	0.0011778	Pa×s	312.96	Joback Calculated Property
η	0.0007450	Pa×s	347.21	Joback Calculated Property
η	0.0005117	Pa×s	381.46	Joback Calculated Property
η	0.0003739	Pa×s	415.71	Joback Calculated Property
η	0.0002866	Pa×s	449.96	Joback Calculated Property
ΔvapH	43.90	kJ/mol	308.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.42; 202.64]	kPa	[293.00; 528.42]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.12750e+01
Coefficient B			-2.75686e+03
Coefficient C			-6.61400e+01
Temperature range, min.			293.00
Temperature range, max.			528.42
Pvap	0.42	kPa	293.00	Calculated Property
Pvap	1.46	kPa	319.16	Calculated Property
Pvap	4.06	kPa	345.32	Calculated Property
Pvap	9.45	kPa	371.47	Calculated Property
Pvap	19.27	kPa	397.63	Calculated Property
Pvap	35.40	kPa	423.79	Calculated Property
Pvap	59.87	kPa	449.95	Calculated Property
Pvap	94.67	kPa	476.10	Calculated Property
Pvap	141.70	kPa	502.26	Calculated Property
Pvap	202.64	kPa	528.42	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, chloro-, isobutyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.