Chemical Properties of Butane, 1,3-dibromo- (CAS 107-80-2)

InChI

InChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3

InChI Key

XZNGUVQDFJHPLU-UHFFFAOYSA-N

Formula

C4H8Br2

SMILES

CC(Br)CCBr

Molecular Weight¹

215.91

CAS

107-80-2

Other Names

• 1,3-Dibromobutane

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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°	9.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-97.28	kJ/mol	NIST
ΔfH°liquid	-147.80 ± 5.10	kJ/mol	NIST
ΔfusH°	13.16	kJ/mol	Joback Calculated Property
ΔvapH°	49.50	kJ/mol	NIST
log10WS	-2.47		Crippen Calculated Property
logPoct/wat	2.555		Crippen Calculated Property
McVol	102.220	ml/mol	McGowan Calculated Property
Pc	4717.12	kPa	Joback Calculated Property
Inp	[964.00; 987.00]
Inp	987.00		NIST
Inp	964.00		NIST
Inp	973.00		NIST
Inp	964.00		NIST
Tboil	[447.20; 448.15]	K
Tboil	447.20	K	NIST
Tboil	448.15 ± 1.50	K	NIST
Tboil	447.65 ± 2.00	K	NIST
Tc	634.29	K	Joback Calculated Property
Tfus	239.44	K	Joback Calculated Property
Vc	0.378	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.15; 199.46]	J/mol×K	[422.80; 634.29]
Cp,gas	158.15	J/mol×K	422.80	Joback Calculated Property
Cp,gas	166.17	J/mol×K	458.05	Joback Calculated Property
Cp,gas	173.70	J/mol×K	493.30	Joback Calculated Property
Cp,gas	180.76	J/mol×K	528.54	Joback Calculated Property
Cp,gas	187.39	J/mol×K	563.79	Joback Calculated Property
Cp,gas	193.62	J/mol×K	599.04	Joback Calculated Property
Cp,gas	199.46	J/mol×K	634.29	Joback Calculated Property
η	[0.0004216; 0.0043966]	Pa×s	[239.44; 422.80]
η	0.0043966	Pa×s	239.44	Joback Calculated Property
η	0.0023844	Pa×s	270.00	Joback Calculated Property
η	0.0014644	Pa×s	300.56	Joback Calculated Property
η	0.0009841	Pa×s	331.12	Joback Calculated Property
η	0.0007073	Pa×s	361.68	Joback Calculated Property
η	0.0005352	Pa×s	392.24	Joback Calculated Property
η	0.0004216	Pa×s	422.80	Joback Calculated Property
ΔvapH	44.70	kJ/mol	400.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[343.28; 473.09]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43406e+01
Coefficient B			-3.27841e+03
Coefficient C			-1.09992e+02
Temperature range, min.			343.28
Temperature range, max.			473.09
Pvap	1.33	kPa	343.28	Calculated Property
Pvap	3.02	kPa	357.70	Calculated Property
Pvap	6.26	kPa	372.13	Calculated Property
Pvap	12.02	kPa	386.55	Calculated Property
Pvap	21.62	kPa	400.97	Calculated Property
Pvap	36.82	kPa	415.40	Calculated Property
Pvap	59.74	kPa	429.82	Calculated Property
Pvap	92.98	kPa	444.24	Calculated Property
Pvap	139.50	kPa	458.67	Calculated Property
Pvap	202.66	kPa	473.09	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,3-dibromo-.

Sources

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

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