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

• 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).
• 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°	-43.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.65	kJ/mol	Joback 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
log10WS	-2.40		Aq. Sol...
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	551.71	K	Joback Calculated Property
Tfus	179.68	K	Joback Calculated Property
Vc	0.351	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[141.59; 182.54]	J/mol×K	[365.34; 551.71]
Cp,gas	141.59	J/mol×K	365.34	Joback Calculated Property
Cp,gas	149.22	J/mol×K	396.40	Joback Calculated Property
Cp,gas	156.51	J/mol×K	427.46	Joback Calculated Property
Cp,gas	163.48	J/mol×K	458.52	Joback Calculated Property
Cp,gas	170.14	J/mol×K	489.58	Joback Calculated Property
Cp,gas	176.48	J/mol×K	520.65	Joback Calculated Property
Cp,gas	182.54	J/mol×K	551.71	Joback Calculated Property
η	[0.0003376; 0.0069129]	Pa×s	[179.68; 365.34]
η	0.0069129	Pa×s	179.68	Joback Calculated Property
η	0.0028879	Pa×s	210.62	Joback Calculated Property
η	0.0015088	Pa×s	241.57	Joback Calculated Property
η	0.0009135	Pa×s	272.51	Joback Calculated Property
η	0.0006126	Pa×s	303.45	Joback Calculated Property
η	0.0004424	Pa×s	334.40	Joback Calculated Property
η	0.0003376	Pa×s	365.34	Joback Calculated Property
ΔvapH	38.70	kJ/mol	345.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[283.94; 412.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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