Chemical Properties of Butane, 2,3-dichloro- (CAS 7581-97-7)

InChI

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

InChI Key

RMISVOPUIFJTEO-UHFFFAOYSA-N

Formula

C4H8Cl2

SMILES

CC(Cl)C(C)Cl

Molecular Weight¹

127.01

CAS

7581-97-7

Other Names

• 2,3-Dichlorobutane
• D,l-2,3-dichlorobutane

• ω : Acentric Factor.
• 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_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).
• 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).
• 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
ω	0.2879		Relay (1.0) Calculated Property
ΔfG°	-45.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-214.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.46	kJ/mol	Joback Calculated Property
ΔvapH°	40.67	kJ/mol	Relay (1.0) Calculated Property
IE	10.43	eV	Relay (1.0) Calculated Property
log10WS	-2.70		Aq. Solubility Prediction
logPoct/wat	2.241		Crippen Calculated Property
McVol	91.700	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
Inp	[761.00; 763.00]
Inp	763.00		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Tboil	[386.15; 392.70]	K
Tboil	391.20	K	NIST
Tboil	386.15 ± 3.00	K	NIST
Tboil	389.50 ± 1.00	K	NIST
Tboil	391.15 ± 2.00	K	NIST
Tboil	389.00 ± 3.00	K	NIST
Tboil	392.65 ± 0.60	K	NIST
Tboil	392.70 ± 1.00	K	NIST
Tboil	389.15 ± 2.00	K	NIST
Tc	584.44	K	Relay (1.0) Calculated Property
Tfus	238.83	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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
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	[0.14; 100.92]	kPa	[248.00; 389.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43362e+01
Coefficient B			-3.38547e+03
Coefficient C			-4.07670e+01
Reference			Stull, 1947
Temperature range, min.			248.00
Temperature range, max.			389.00
Pvap	0.14	kPa	248.00	Calculated Property
Pvap	0.43	kPa	263.67	Calculated Property
Pvap	1.16	kPa	279.33	Calculated Property
Pvap	2.77	kPa	295.00	Calculated Property
Pvap	6.01	kPa	310.67	Calculated Property
Pvap	11.95	kPa	326.33	Calculated Property
Pvap	22.14	kPa	342.00	Calculated Property
Pvap	38.60	kPa	357.67	Calculated Property
Pvap	63.84	kPa	373.33	Calculated Property
Pvap	100.92	kPa	389.00	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2,3-dichloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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