Chemical Properties of Butane, 1,2-dichloro- (CAS 616-21-7)

InChI

InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3

InChI Key

PQBOTZNYFQWRHU-UHFFFAOYSA-N

Formula

C4H8Cl2

SMILES

CCC(Cl)CCl

Molecular Weight¹

127.01

CAS

616-21-7

Other Names

• 1,2-Butylene chloride
• 1,2-Dichlorobutane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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	0.2779		Relay (1.0) Calculated Property
ΔcH°liquid	-2533.30 ± 1.60	kJ/mol	NIST
ΔfG°	-43.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-191.20 ± 1.70	kJ/mol	NIST
ΔfH°liquid	[-232.20; -231.40]	kJ/mol
ΔfH°liquid	-231.40 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-232.20	kJ/mol	NIST
ΔfusH°	10.99	kJ/mol	Joback Calculated Property
ΔvapH°	[39.60; 40.40]	kJ/mol
ΔvapH°	Outlier 39.60	kJ/mol	NIST
ΔvapH°	40.10 ± 0.10	kJ/mol	NIST
ΔvapH°	40.14 ± 0.07	kJ/mol	NIST
ΔvapH°	40.20 ± 0.10	kJ/mol	NIST
ΔvapH°	40.40	kJ/mol	NIST
ΔvapH°	40.10 ± 0.60	kJ/mol	NIST
IE	10.62	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	2.243		Crippen Calculated Property
McVol	91.700	ml/mol	McGowan Calculated Property
Pc	3594.25	kPa	Joback Calculated Property
Inp	[785.00; 801.00]
Inp	801.00		NIST
Inp	785.00		NIST
Inp	785.00		NIST
Inp	785.00		NIST
Inp	785.00		NIST
Tboil	[387.85; 397.20]	K
Tboil	397.20	K	NIST
Tboil	397.20	K	NIST
Tboil	Outlier 387.85	K	NIST
Tboil	397.15 ± 2.00	K	NIST
Tboil	395.15 ± 2.00	K	NIST
Tboil	397.00 ± 5.00	K	NIST
Tboil	397.15 ± 2.00	K	NIST
Tboil	397.20 ± 0.50	K	NIST
Tc	599.05	K	Relay (1.0) Calculated Property
Tfus	200.16	K	Relay (1.0) Calculated Property
Vc	0.332	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	195.60	J/mol×K	298.15	NIST
ΔvapH	[33.90; 39.00]	kJ/mol	[323.00; 397.20]
ΔvapH	38.10	kJ/mol	323.00	NIST
ΔvapH	39.00	kJ/mol	353.00	NIST
ΔvapH	33.90	kJ/mol	397.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.83; 242.77]	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			2.33520e+01
Coefficient B			4.03320e-01
Coefficient C			-2.37800e-04
Coefficient D			5.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	116.83	J/mol×K	273.00	Calculated Property
Cp,gas	138.66	J/mol×K	353.78	Calculated Property
Cp,gas	158.13	J/mol×K	434.56	Calculated Property
Cp,gas	175.42	J/mol×K	515.33	Calculated Property
Cp,gas	190.69	J/mol×K	596.11	Calculated Property
Cp,gas	204.12	J/mol×K	676.89	Calculated Property
Cp,gas	215.87	J/mol×K	757.67	Calculated Property
Cp,gas	226.11	J/mol×K	838.44	Calculated Property
Cp,gas	235.02	J/mol×K	919.22	Calculated Property
Cp,gas	242.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069129; 0.0002879]	Pa×s	[179.68; 386.41]	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			-1.09157e+01
Coefficient B			1.06754e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			179.68
Temperature range, max.			386.41
η	0.0069129	Pa×s	179.68	Calculated Property
η	0.0035253	Pa×s	202.65	Calculated Property
η	0.0020620	Pa×s	225.62	Calculated Property
η	0.0013317	Pa×s	248.59	Calculated Property
η	0.0009261	Pa×s	271.56	Calculated Property
η	0.0006816	Pa×s	294.53	Calculated Property
η	0.0005244	Pa×s	317.50	Calculated Property
η	0.0004179	Pa×s	340.47	Calculated Property
η	0.0003428	Pa×s	363.44	Calculated Property
η	0.0002879	Pa×s	386.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[284.99; 422.89]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51007e+01
Coefficient B			-3.98019e+03
Coefficient C			-1.62960e+01
Temperature range, min.			284.99
Temperature range, max.			422.89
Pvap	1.33	kPa	284.99	Calculated Property
Pvap	2.96	kPa	300.31	Calculated Property
Pvap	6.07	kPa	315.63	Calculated Property
Pvap	11.61	kPa	330.96	Calculated Property
Pvap	20.88	kPa	346.28	Calculated Property
Pvap	35.66	kPa	361.60	Calculated Property
Pvap	58.20	kPa	376.92	Calculated Property
Pvap	91.25	kPa	392.25	Calculated Property
Pvap	138.13	kPa	407.57	Calculated Property
Pvap	202.67	kPa	422.89	Calculated Property
Pvap	[0.13; 101.00]	kPa	[249.60; 396.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38491e+01
Coefficient B			-3.24903e+03
Coefficient C			-4.48460e+01
Reference			Stull, 1947
Temperature range, min.			249.60
Temperature range, max.			396.70
Pvap	0.13	kPa	249.60	Calculated Property
Pvap	0.43	kPa	265.94	Calculated Property
Pvap	1.18	kPa	282.29	Calculated Property
Pvap	2.85	kPa	298.63	Calculated Property
Pvap	6.18	kPa	314.98	Calculated Property
Pvap	12.28	kPa	331.32	Calculated Property
Pvap	22.64	kPa	347.67	Calculated Property
Pvap	39.23	kPa	364.01	Calculated Property
Pvap	64.41	kPa	380.36	Calculated Property
Pvap	101.00	kPa	396.70	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,2-dichloro-.

Sources

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

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