Chemical Properties of Butane, 1-chloro-2,3-dimethyl (CAS 600-06-6)

InChI

InChI=1S/C6H13Cl/c1-5(2)6(3)4-7/h5-6H,4H2,1-3H3

InChI Key

UMJSXTUELCDYKZ-UHFFFAOYSA-N

Formula

C6H13Cl

SMILES

CC(C)C(C)CCl

Molecular Weight¹

120.62

CAS

600-06-6

Other Names

• 1-chloro-2,3-dimethylbutane

• 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).
• 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°	-17.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-193.47	kJ/mol	Joback Calculated Property
ΔfusH°	8.45	kJ/mol	Joback Calculated Property
ΔvapH°	32.56	kJ/mol	Joback Calculated Property
log10WS	-2.00		Crippen Calculated Property
logPoct/wat	2.517		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3035.62	kPa	Joback Calculated Property
Inp	[787.00; 787.00]
Inp	787.00		NIST
Inp	787.00		NIST
Tboil	397.15 ± 4.00	K	NIST
Tc	553.82	K	Joback Calculated Property
Tfus	157.30	K	Joback Calculated Property
Vc	0.408	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.75; 245.63]	J/mol×K	[373.23; 553.82]
Cp,gas	185.75	J/mol×K	373.23	Joback Calculated Property
Cp,gas	196.81	J/mol×K	403.33	Joback Calculated Property
Cp,gas	207.42	J/mol×K	433.43	Joback Calculated Property
Cp,gas	217.60	J/mol×K	463.52	Joback Calculated Property
Cp,gas	227.35	J/mol×K	493.62	Joback Calculated Property
Cp,gas	236.69	J/mol×K	523.72	Joback Calculated Property
Cp,gas	245.63	J/mol×K	553.82	Joback Calculated Property
η	[0.0002752; 0.0170744]	Pa×s	[157.30; 373.23]
η	0.0170744	Pa×s	157.30	Joback Calculated Property
η	0.0045226	Pa×s	193.29	Joback Calculated Property
η	0.0018178	Pa×s	229.28	Joback Calculated Property
η	0.0009357	Pa×s	265.26	Joback Calculated Property
η	0.0005644	Pa×s	301.25	Joback Calculated Property
η	0.0003793	Pa×s	337.24	Joback Calculated Property
η	0.0002752	Pa×s	373.23	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[297.12; 421.41]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52598e+01
Coefficient B			-3.68493e+03
Coefficient C			-5.10020e+01
Temperature range, min.			297.12
Temperature range, max.			421.41
Pvap	1.33	kPa	297.12	Calculated Property
Pvap	2.95	kPa	310.93	Calculated Property
Pvap	6.04	kPa	324.74	Calculated Property
Pvap	11.53	kPa	338.55	Calculated Property
Pvap	20.74	kPa	352.36	Calculated Property
Pvap	35.44	kPa	366.17	Calculated Property
Pvap	57.90	kPa	379.98	Calculated Property
Pvap	90.91	kPa	393.79	Calculated Property
Pvap	137.86	kPa	407.60	Calculated Property
Pvap	202.65	kPa	421.41	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1-chloro-2,3-dimethyl.

Sources

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

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