Chemical Properties of Bromoacetic acid, hexyl ester (CAS 13048-32-3)

InChI

InChI=1S/C8H15BrO2/c1-2-3-4-5-6-11-8(10)7-9/h2-7H2,1H3

InChI Key

NNPJKFMGVZNJHG-UHFFFAOYSA-N

Formula

C8H15BrO2

SMILES

CCCCCCOC(=O)CBr

Molecular Weight¹

223.11

CAS

13048-32-3

Other Names

• Hexyl bromoacetate

• 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.
• 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	0.6439		Relay (1.0) Calculated Property
ΔfH°gas	-513.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.13	kJ/mol	Joback Calculated Property
ΔvapH°	58.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.96	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	2.505		Crippen Calculated Property
McVol	148.520	ml/mol	McGowan Calculated Property
Pc	2735.42	kPa	Joback Calculated Property
Inp	[1265.80; 1284.40]
Inp	1265.80		NIST
Inp	1284.40		NIST
Tboil	500.27	K	Relay (1.0) Calculated Property
Tc	688.99	K	Relay (1.0) Calculated Property
Tfus	240.57	K	Relay (1.0) Calculated Property
Vc	0.552	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	[316.23; 381.20]	J/mol×K	[507.02; 693.97]
Cp,gas	316.23	J/mol×K	507.02	Joback Calculated Property
Cp,gas	328.43	J/mol×K	538.18	Joback Calculated Property
Cp,gas	340.06	J/mol×K	569.34	Joback Calculated Property
Cp,gas	351.14	J/mol×K	600.50	Joback Calculated Property
Cp,gas	361.69	J/mol×K	631.66	Joback Calculated Property
Cp,gas	371.70	J/mol×K	662.81	Joback Calculated Property
Cp,gas	381.20	J/mol×K	693.97	Joback Calculated Property
η	[0.0002528; 0.0038932]	Pa×s	[282.05; 507.02]
η	0.0038932	Pa×s	282.05	Joback Calculated Property
η	0.0018891	Pa×s	319.55	Joback Calculated Property
η	0.0010670	Pa×s	357.04	Joback Calculated Property
η	0.0006718	Pa×s	394.53	Joback Calculated Property
η	0.0004583	Pa×s	432.03	Joback Calculated Property
η	0.0003324	Pa×s	469.52	Joback Calculated Property
η	0.0002528	Pa×s	507.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bromoacetic acid, hexyl ester.

Sources

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

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