Chemical Properties of 4-Penten-2-ol, dibromoacetate

InChI

InChI=1S/C7H10Br2O2/c1-3-4-5(2)11-7(10)6(8)9/h3,5-6H,1,4H2,2H3

InChI Key

JQTBJKRYXSYYEA-UHFFFAOYSA-N

Formula

C7H10Br2O2

SMILES

C=CCC(C)OC(=O)C(Br)Br

Molecular Weight¹

285.96

• 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.
• I : 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°	20.50	kJ/mol	Joback Calculated Property
logPoct/wat	2.610		Crippen Calculated Property
McVol	147.630	ml/mol	McGowan Calculated Property
Inp	[1241.00; 1241.00]
Inp	1241.00		NIST
Inp	1241.00		NIST
I	[1784.00; 1784.00]
I	1784.00		NIST
I	1784.00		NIST
Tboil	490.43	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	[291.16; 343.77]	J/mol×K	[546.10; 762.91]
Cp,gas	291.16	J/mol×K	546.10	Joback Calculated Property
Cp,gas	301.54	J/mol×K	582.24	Joback Calculated Property
Cp,gas	311.23	J/mol×K	618.37	Joback Calculated Property
Cp,gas	320.27	J/mol×K	654.51	Joback Calculated Property
Cp,gas	328.69	J/mol×K	690.64	Joback Calculated Property
Cp,gas	336.51	J/mol×K	726.78	Joback Calculated Property
Cp,gas	343.77	J/mol×K	762.91	Joback Calculated Property
η	[0.0002336; 0.0044130]	Pa×s	[298.82; 546.10]
η	0.0044130	Pa×s	298.82	Joback Calculated Property
η	0.0020096	Pa×s	340.03	Joback Calculated Property
η	0.0010848	Pa×s	381.25	Joback Calculated Property
η	0.0006604	Pa×s	422.46	Joback Calculated Property
η	0.0004392	Pa×s	463.67	Joback Calculated Property
η	0.0003121	Pa×s	504.89	Joback Calculated Property
η	0.0002336	Pa×s	546.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Penten-2-ol, dibromoacetate.

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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