Chemical Properties of 1-Propanol, 2,3-dibromo-

InChI

InChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2

InChI Key

QWVCIORZLNBIIC-UHFFFAOYSA-N

Formula

C3H6Br2O

SMILES

OCC(Br)CBr

Molecular Weight¹

217.89

Other Names

• 1,2-Dibromohydrin
• 1,2-Dibromopropan-3-ol
• 2,3-Dibromo-1-propanol
• 2,3-Dibromopropanol
• 2,3-dibromopropan-1-ol
• Brominex 257
• DBP
• DBP (flame retardant)
• NCI-C55436
• NSC 6203
• USAF DO-42
• «beta»-Dibromohydrin

• 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).
• 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-221.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.66	kJ/mol	Joback Calculated Property
ΔvapH°	70.35	kJ/mol	Relay (1.0) Calculated Property
log10WS	-0.55		Relay (1.0) Calculated Property
logPoct/wat	1.137		Crippen Calculated Property
McVol	94.000	ml/mol	McGowan Calculated Property
Inp	[1079.00; 1079.00]
Inp	1079.00		NIST
Inp	1079.00		NIST
Tboil	487.97	K	Relay (1.0) Calculated Property
Tfus	259.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.28; 211.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.01520e+01
Coefficient B			4.05100e-01
Coefficient C			-3.15800e-04
Coefficient D			1.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.28	J/mol×K	273.00	Calculated Property
Cp,gas	128.46	J/mol×K	353.78	Calculated Property
Cp,gas	144.93	J/mol×K	434.56	Calculated Property
Cp,gas	159.01	J/mol×K	515.33	Calculated Property
Cp,gas	171.02	J/mol×K	596.11	Calculated Property
Cp,gas	181.30	J/mol×K	676.89	Calculated Property
Cp,gas	190.16	J/mol×K	757.67	Calculated Property
Cp,gas	197.92	J/mol×K	838.44	Calculated Property
Cp,gas	204.91	J/mol×K	919.22	Calculated Property
Cp,gas	211.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0172793; 0.0002886]	Pa×s	[288.99; 485.72]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.41620e+01
Coefficient B			2.91989e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			288.99
Temperature range, max.			485.72
η	0.0172793	Pa×s	288.99	Calculated Property
η	0.0084911	Pa×s	310.85	Calculated Property
η	0.0045808	Pa×s	332.71	Calculated Property
η	0.0026667	Pa×s	354.57	Calculated Property
η	0.0016531	Pa×s	376.43	Calculated Property
η	0.0010800	Pa×s	398.28	Calculated Property
η	0.0007375	Pa×s	420.14	Calculated Property
η	0.0005230	Pa×s	442.00	Calculated Property
η	0.0003831	Pa×s	463.86	Calculated Property
η	0.0002886	Pa×s	485.72	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.79]	kPa	[330.00; 492.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.68260e+01
Coefficient B			-5.62321e+03
Coefficient C			-3.15700e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			330.00
Temperature range, max.			492.00
Pvap	0.13	kPa	330.00	Calculated Property
Pvap	0.39	kPa	348.00	Calculated Property
Pvap	1.01	kPa	366.00	Calculated Property
Pvap	2.39	kPa	384.00	Calculated Property
Pvap	5.18	kPa	402.00	Calculated Property
Pvap	10.48	kPa	420.00	Calculated Property
Pvap	19.89	kPa	438.00	Calculated Property
Pvap	35.77	kPa	456.00	Calculated Property
Pvap	61.32	kPa	474.00	Calculated Property
Pvap	100.79	kPa	492.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 2,3-dibromo-.

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

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