Chemical Properties of 6-Bromohexanoic acid, 2,3-dimethylphenyl ester

InChI

InChI=1S/C14H19BrO2/c1-11-7-6-8-13(12(11)2)17-14(16)9-4-3-5-10-15/h6-8H,3-5,9-10H2,1-2H3

InChI Key

LBVRMQLIVZFDEF-UHFFFAOYSA-N

Formula

C14H19BrO2

SMILES

Cc1cccc(OC(=O)CCCCCBr)c1C

Molecular Weight¹

299.20

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.93	kJ/mol	Joback Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	209.300	ml/mol	McGowan Calculated Property
Inp	[2125.00; 2125.00]
Inp	2125.00		NIST
Inp	2125.00		NIST
Tboil	600.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[531.15; 606.87]	J/mol×K	[680.94; 891.88]
Cp,gas	531.15	J/mol×K	680.94	Joback Calculated Property
Cp,gas	546.02	J/mol×K	716.10	Joback Calculated Property
Cp,gas	559.95	J/mol×K	751.25	Joback Calculated Property
Cp,gas	572.98	J/mol×K	786.41	Joback Calculated Property
Cp,gas	585.12	J/mol×K	821.56	Joback Calculated Property
Cp,gas	596.41	J/mol×K	856.72	Joback Calculated Property
Cp,gas	606.87	J/mol×K	891.88	Joback Calculated Property
η	[0.0001201; 0.0011845]	Pa×s	[401.13; 680.94]
η	0.0011845	Pa×s	401.13	Joback Calculated Property
η	0.0006632	Pa×s	447.77	Joback Calculated Property
η	0.0004142	Pa×s	494.40	Joback Calculated Property
η	0.0002806	Pa×s	541.04	Joback Calculated Property
η	0.0002022	Pa×s	587.67	Joback Calculated Property
η	0.0001529	Pa×s	634.31	Joback Calculated Property
η	0.0001201	Pa×s	680.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Bromohexanoic acid, 2,3-dimethylphenyl ester.

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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