Chemical Properties of Butane, 1,1-dichloro- (CAS 541-33-3)

InChI

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

InChI Key

SEQRDAAUNCRFIT-UHFFFAOYSA-N

Formula

C4H8Cl2

SMILES

CCCC(Cl)Cl

Molecular Weight¹

127.01

CAS

541-33-3

Other Names

• 1,1-Dichlorobutane
• Butylidene chloride

• 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	0.2755		Relay (1.0) Calculated Property
ΔfG°	-43.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-157.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.99	kJ/mol	Joback Calculated Property
ΔvapH°	[39.40; 39.50]	kJ/mol
ΔvapH°	39.50	kJ/mol	NIST
ΔvapH°	39.40 ± 0.60	kJ/mol	NIST
IE	10.73	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Aq. Solubility Prediction
logPoct/wat	2.590		Crippen Calculated Property
McVol	91.700	ml/mol	McGowan Calculated Property
Pc	3594.25	kPa	Joback Calculated Property
Inp	[755.00; 787.00]
Inp	756.00		NIST
Inp	787.00		NIST
Inp	755.00		NIST
Inp	755.00		NIST
Inp	755.00		NIST
Tboil	[387.00; 387.00]	K
Tboil	387.00	K	NIST
Tboil	387.00 ± 4.00	K	NIST
Tc	571.64	K	Relay (1.0) Calculated Property
Tfus	161.03	K	Relay (1.0) Calculated Property
Vc	0.343	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

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; 202.63]	kPa	[283.94; 412.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42047e+01
Coefficient B			-3.17500e+03
Coefficient C			-5.58020e+01
Temperature range, min.			283.94
Temperature range, max.			412.81
Pvap	1.33	kPa	283.94	Calculated Property
Pvap	3.03	kPa	298.26	Calculated Property
Pvap	6.30	kPa	312.58	Calculated Property
Pvap	12.10	kPa	326.90	Calculated Property
Pvap	21.77	kPa	341.22	Calculated Property
Pvap	37.04	kPa	355.53	Calculated Property
Pvap	60.04	kPa	369.85	Calculated Property
Pvap	93.30	kPa	384.17	Calculated Property
Pvap	139.74	kPa	398.49	Calculated Property
Pvap	202.63	kPa	412.81	Calculated Property

Similar Compounds

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

Sources

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

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