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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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 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_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ΔfG°	-87.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-99.95	kJ/mol	Joback Calculated Property
ΔfH°liquid	-88.70	kJ/mol	NIST
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
ΔvapH°	44.77	kJ/mol	Joback Calculated Property
log10WS	-2.34		Crippen Calculated Property
logPoct/wat	2.024		Crippen Calculated Property
McVol	93.110	ml/mol	McGowan Calculated Property
Pc	8116.22	kPa	Joback Calculated Property
Tboil	[447.15; 447.20]	K
Tboil	447.20	K	NIST
Tboil	447.15 ± 1.50	K	NIST
Tc	742.81	K	Joback Calculated Property
Tfus	336.12	K	Joback Calculated Property
Vc	0.340	m3/kmol	Joback Calculated Property

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 Yaw...
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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