Chemical Properties of Pentane, 3,3-dichloro- (CAS 21571-91-5)

InChI

InChI=1S/C5H10Cl2/c1-3-5(6,7)4-2/h3-4H2,1-2H3

InChI Key

MOUDFOLIRVUWKC-UHFFFAOYSA-N

Formula

C5H10Cl2

SMILES

CCC(Cl)(Cl)CC

Molecular Weight¹

141.04

CAS

21571-91-5

Other Names

• 3,3-dichloropentane

• 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.
• I : 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°	-29.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.76	kJ/mol	Joback Calculated Property
ΔfusH°	9.69	kJ/mol	Joback Calculated Property
ΔvapH°	34.20	kJ/mol	Joback Calculated Property
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	2.980		Crippen Calculated Property
McVol	105.790	ml/mol	McGowan Calculated Property
Pc	3254.14	kPa	Joback Calculated Property
Inp	[820.00; 857.00]
Inp	857.00		NIST
Inp	857.00		NIST
Inp	820.00		NIST
I	1074.00		NIST
Tboil	404.00 ± 8.00	K	NIST
Tc	579.04	K	Joback Calculated Property
Tfus	208.37	K	Joback Calculated Property
Vc	0.403	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.40; 229.97]	J/mol×K	[385.43; 579.04]
Cp,gas	177.40	J/mol×K	385.43	Joback Calculated Property
Cp,gas	187.56	J/mol×K	417.70	Joback Calculated Property
Cp,gas	197.13	J/mol×K	449.97	Joback Calculated Property
Cp,gas	206.13	J/mol×K	482.23	Joback Calculated Property
Cp,gas	214.58	J/mol×K	514.50	Joback Calculated Property
Cp,gas	222.52	J/mol×K	546.77	Joback Calculated Property
Cp,gas	229.97	J/mol×K	579.04	Joback Calculated Property
η	[0.0003821; 0.0077359]	Pa×s	[208.37; 385.43]
η	0.0077359	Pa×s	208.37	Joback Calculated Property
η	0.0034334	Pa×s	237.88	Joback Calculated Property
η	0.0018231	Pa×s	267.39	Joback Calculated Property
η	0.0010979	Pa×s	296.90	Joback Calculated Property
η	0.0007246	Pa×s	326.41	Joback Calculated Property
η	0.0005124	Pa×s	355.92	Joback Calculated Property
η	0.0003821	Pa×s	385.43	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[303.09; 430.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.34248e+01
Coefficient B			-2.69568e+03
Coefficient C			-9.78970e+01
Temperature range, min.			303.09
Temperature range, max.			430.15
Pvap	1.33	kPa	303.09	Calculated Property
Pvap	3.11	kPa	317.21	Calculated Property
Pvap	6.53	kPa	331.33	Calculated Property
Pvap	12.62	kPa	345.44	Calculated Property
Pvap	22.71	kPa	359.56	Calculated Property
Pvap	38.48	kPa	373.68	Calculated Property
Pvap	61.94	kPa	387.80	Calculated Property
Pvap	95.39	kPa	401.91	Calculated Property
Pvap	141.37	kPa	416.03	Calculated Property
Pvap	202.64	kPa	430.15	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3,3-dichloro-.

Sources

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

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