Chemical Properties of Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- (CAS 2211-67-8)

InChI

InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3/t3-,4-/m1/s1

InChI Key

RMISVOPUIFJTEO-IMJSIDKUSA-N

Formula

C4H8Cl2

SMILES

C[C@@H](Cl)[C@@H](C)Cl

Molecular Weight¹

127.01

CAS

2211-67-8

Other Names

• (.+/-.)-2,3-Dichlorobutane
• Butane, 2,3-dichloro-, (.+/-.)-
• DL-2,3-Dichlorobutane
• racemic-2,3-Dichlorobutane
• threo-2,3-Dichlorobutane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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_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
ω	0.2548		Relay (1.0) Calculated Property
ΔcH°liquid	-2522.70 ± 1.70	kJ/mol	NIST
ΔfG°	-45.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.20 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-241.90 ± 1.70	kJ/mol	NIST
ΔfusH°	7.46	kJ/mol	Joback Calculated Property
ΔvapH°	[39.70; 39.73]	kJ/mol
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	39.73 ± 0.05	kJ/mol	NIST
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	39.73 ± 0.05	kJ/mol	NIST
IE	10.46	eV	Relay (1.0) Calculated Property
log10WS	-2.65		Relay (1.0) Calculated Property
logPoct/wat	2.241		Crippen Calculated Property
McVol	91.700	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
Tboil	398.49	K	Relay (1.0) Calculated Property
Tc	591.74	K	Relay (1.0) Calculated Property
Tfus	241.11	K	Relay (1.0) Calculated Property
Vc	0.371	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.52; 243.31]	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			2.16700e+01
Coefficient B			4.09240e-01
Coefficient C			-2.41000e-04
Coefficient D			5.34000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	116.52	J/mol×K	273.00	Calculated Property
Cp,gas	138.65	J/mol×K	353.78	Calculated Property
Cp,gas	158.38	J/mol×K	434.56	Calculated Property
Cp,gas	175.87	J/mol×K	515.33	Calculated Property
Cp,gas	191.30	J/mol×K	596.11	Calculated Property
Cp,gas	204.82	J/mol×K	676.89	Calculated Property
Cp,gas	216.62	J/mol×K	757.67	Calculated Property
Cp,gas	226.85	J/mol×K	838.44	Calculated Property
Cp,gas	235.69	J/mol×K	919.22	Calculated Property
Cp,gas	243.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0130687; 0.0002717]	Pa×s	[164.68; 389.35]	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			-1.10497e+01
Coefficient B			1.10536e+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.			164.68
Temperature range, max.			389.35
η	0.0130687	Pa×s	164.68	Calculated Property
η	0.0054016	Pa×s	189.64	Calculated Property
η	0.0027420	Pa×s	214.61	Calculated Property
η	0.0016032	Pa×s	239.57	Calculated Property
η	0.0010373	Pa×s	264.53	Calculated Property
η	0.0007235	Pa×s	289.50	Calculated Property
η	0.0005343	Pa×s	314.46	Calculated Property
η	0.0004126	Pa×s	339.42	Calculated Property
η	0.0003301	Pa×s	364.38	Calculated Property
η	0.0002717	Pa×s	389.35	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[294.37; 422.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.31226e+01
Coefficient B			-2.54724e+03
Coefficient C			-9.59060e+01
Temperature range, min.			294.37
Temperature range, max.			422.01
Pvap	1.33	kPa	294.37	Calculated Property
Pvap	3.14	kPa	308.55	Calculated Property
Pvap	6.64	kPa	322.73	Calculated Property
Pvap	12.85	kPa	336.92	Calculated Property
Pvap	23.13	kPa	351.10	Calculated Property
Pvap	39.12	kPa	365.28	Calculated Property
Pvap	62.77	kPa	379.46	Calculated Property
Pvap	96.29	kPa	393.65	Calculated Property
Pvap	142.08	kPa	407.83	Calculated Property
Pvap	202.66	kPa	422.01	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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