Chemical Properties of Butane, 1,1-dichloro-3,3-dimethyl- (CAS 6130-96-7)

InChI

InChI=1S/C6H12Cl2/c1-6(2,3)4-5(7)8/h5H,4H2,1-3H3

InChI Key

BLRPQFOUUPCTED-UHFFFAOYSA-N

Formula

C6H12Cl2

SMILES

CC(C)(C)CC(Cl)Cl

Molecular Weight¹

155.06

CAS

6130-96-7

Other Names

• 1,1-dichloro-3,3-dimethylbutane

• 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).
• 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	0.3084		Relay (1.0) Calculated Property
ΔfG°	-23.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-220.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.75	kJ/mol	Joback Calculated Property
ΔvapH°	45.40	kJ/mol	Relay (1.0) Calculated Property
IE	10.49	eV	Relay (1.0) Calculated Property
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	3.226		Crippen Calculated Property
McVol	119.880	ml/mol	McGowan Calculated Property
Pc	2950.48	kPa	Joback Calculated Property
Inp	[871.00; 871.00]
Inp	871.00		NIST
Inp	871.00		NIST
Tboil	[420.20; 423.00]	K
Tboil	420.20	K	NIST
Tboil	423.00 ± 2.00	K	NIST
Tc	603.74	K	Relay (1.0) Calculated Property
Tfus	[212.85; 217.00]	K
Tfus	212.85 ± 0.60	K	NIST
Tfus	217.00 ± 4.00	K	NIST
Vc	0.427	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.80; 347.42]	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			-2.93900e+00
Coefficient B			7.19160e-01
Coefficient C			-5.18400e-04
Coefficient D			1.49600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.80	J/mol×K	273.00	Calculated Property
Cp,gas	193.23	J/mol×K	353.78	Calculated Property
Cp,gas	223.96	J/mol×K	434.56	Calculated Property
Cp,gas	250.47	J/mol×K	515.33	Calculated Property
Cp,gas	273.24	J/mol×K	596.11	Calculated Property
Cp,gas	292.73	J/mol×K	676.89	Calculated Property
Cp,gas	309.42	J/mol×K	757.67	Calculated Property
Cp,gas	323.78	J/mol×K	838.44	Calculated Property
Cp,gas	336.29	J/mol×K	919.22	Calculated Property
Cp,gas	347.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0092262; 0.0002992]	Pa×s	[214.93; 423.48]	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			-1.16481e+01
Coefficient B			1.49640e+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.			214.93
Temperature range, max.			423.48
η	0.0092262	Pa×s	214.93	Calculated Property
η	0.0046853	Pa×s	238.10	Calculated Property
η	0.0026832	Pa×s	261.27	Calculated Property
η	0.0016827	Pa×s	284.44	Calculated Property
η	0.0011321	Pa×s	307.62	Calculated Property
η	0.0008052	Pa×s	330.79	Calculated Property
η	0.0005988	Pa×s	353.96	Calculated Property
η	0.0004618	Pa×s	377.14	Calculated Property
η	0.0003670	Pa×s	400.31	Calculated Property
η	0.0002992	Pa×s	423.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[321.88; 443.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62320e+01
Coefficient B			-4.20398e+03
Coefficient C			-5.82160e+01
Temperature range, min.			321.88
Temperature range, max.			443.18
Pvap	1.33	kPa	321.88	Calculated Property
Pvap	2.90	kPa	335.36	Calculated Property
Pvap	5.85	kPa	348.84	Calculated Property
Pvap	11.11	kPa	362.31	Calculated Property
Pvap	19.97	kPa	375.79	Calculated Property
Pvap	34.23	kPa	389.27	Calculated Property
Pvap	56.26	kPa	402.75	Calculated Property
Pvap	89.06	kPa	416.22	Calculated Property
Pvap	136.37	kPa	429.70	Calculated Property
Pvap	202.67	kPa	443.18	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,1-dichloro-3,3-dimethyl-.

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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