Chemical Properties of Acetaldehyde, tribromo- (CAS 115-17-3)

InChI

InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H

InChI Key

YTGSYRVSBPFKMQ-UHFFFAOYSA-N

Formula

C2HBr3O

SMILES

O=CC(Br)(Br)Br

Molecular Weight¹

280.74

CAS

115-17-3

Other Names

• 2,2,2-Tribromoacetaldehyde
• Bromal
• Tribromoacetaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°liquid	-88.70	kJ/mol	NIST
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
logPoct/wat	2.024		Crippen Calculated Property
McVol	93.110	ml/mol	McGowan Calculated Property
Tboil	[447.15; 447.20]	K
Tboil	447.20	K	NIST
Tboil	447.15 ± 1.50	K	NIST

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	[123.08; 135.84]	J/mol×K	[489.07; 742.81]
Cp,gas	123.08	J/mol×K	489.07	Joback Calculated Property
Cp,gas	126.44	J/mol×K	531.36	Joback Calculated Property
Cp,gas	129.20	J/mol×K	573.65	Joback Calculated Property
Cp,gas	131.43	J/mol×K	615.94	Joback Calculated Property
Cp,gas	133.23	J/mol×K	658.23	Joback Calculated Property
Cp,gas	134.67	J/mol×K	700.52	Joback Calculated Property
Cp,gas	135.84	J/mol×K	742.81	Joback Calculated Property
η	[0.0005919; 0.0031192]	Pa×s	[336.12; 489.07]
η	0.0031192	Pa×s	336.12	Joback Calculated Property
η	0.0021446	Pa×s	361.61	Joback Calculated Property
η	0.0015490	Pa×s	387.10	Joback Calculated Property
η	0.0011648	Pa×s	412.60	Joback Calculated Property
η	0.0009054	Pa×s	438.09	Joback Calculated Property
η	0.0007235	Pa×s	463.58	Joback Calculated Property
η	0.0005919	Pa×s	489.07	Joback Calculated Property
ΔvapH	47.80	kJ/mol	369.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[331.33; 474.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60733e+01
Coefficient B			-4.83596e+03
Coefficient C			-2.49800e+01
Temperature range, min.			331.33
Temperature range, max.			474.34
Pvap	1.33	kPa	331.33	Calculated Property
Pvap	2.90	kPa	347.22	Calculated Property
Pvap	5.88	kPa	363.11	Calculated Property
Pvap	11.17	kPa	379.00	Calculated Property
Pvap	20.09	kPa	394.89	Calculated Property
Pvap	34.41	kPa	410.78	Calculated Property
Pvap	56.50	kPa	426.67	Calculated Property
Pvap	89.34	kPa	442.56	Calculated Property
Pvap	136.59	kPa	458.45	Calculated Property
Pvap	202.65	kPa	474.34	Calculated Property

Similar Compounds

Find more compounds similar to Acetaldehyde, tribromo-.

Sources

• 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
• The Yaws Handbook of Vapor Pressure

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.