Chemical Properties of Pentane, 1,1,1,5-tetrachloro- (CAS 2467-10-9)

InChI

InChI=1S/C5H8Cl4/c6-4-2-1-3-5(7,8)9/h1-4H2

InChI Key

VZEWJVRACUZHQR-UHFFFAOYSA-N

Formula

C5H8Cl4

SMILES

ClCCCCC(Cl)(Cl)Cl

Molecular Weight¹

209.93

CAS

2467-10-9

Other Names

• 1,1,1,5-Tetrachloropentane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.3673		Relay (1.0) Calculated Property
ΔfH°gas	-199.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.08	kJ/mol	Joback Calculated Property
ΔvapH°	55.25	kJ/mol	Relay (1.0) Calculated Property
IE	10.70	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	3.766		Crippen Calculated Property
McVol	130.270	ml/mol	McGowan Calculated Property
Pc	2995.87	kPa	Joback Calculated Property
Inp	[1211.00; 1220.00]
Inp	1220.00		NIST
Inp	1211.00		NIST
Inp	1211.00		NIST
Inp	1211.00		NIST
Inp	1220.00		NIST
Tboil	477.23	K	Relay (1.0) Calculated Property
Tc	681.23	K	Relay (1.0) Calculated Property
Tfus	219.31	K	Relay (1.0) Calculated Property
Vc	0.463	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.71; 311.83]	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			2.54340e+01
Coefficient B			6.31800e-01
Coefficient C			-5.01600e-04
Coefficient D			1.56200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.71	J/mol×K	273.00	Calculated Property
Cp,gas	193.09	J/mol×K	353.78	Calculated Property
Cp,gas	218.08	J/mol×K	434.56	Calculated Property
Cp,gas	239.19	J/mol×K	515.33	Calculated Property
Cp,gas	256.90	J/mol×K	596.11	Calculated Property
Cp,gas	271.71	J/mol×K	676.89	Calculated Property
Cp,gas	284.12	J/mol×K	757.67	Calculated Property
Cp,gas	294.61	J/mol×K	838.44	Calculated Property
Cp,gas	303.68	J/mol×K	919.22	Calculated Property
Cp,gas	311.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053237; 0.0003512]	Pa×s	[268.21; 468.18]	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			-1.16002e+01
Coefficient B			1.70706e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			268.21
Temperature range, max.			468.18
η	0.0053237	Pa×s	268.21	Calculated Property
η	0.0032715	Pa×s	290.43	Calculated Property
η	0.0021545	Pa×s	312.65	Calculated Property
η	0.0014997	Pa×s	334.87	Calculated Property
η	0.0010920	Pa×s	357.09	Calculated Property
η	0.0008253	Pa×s	379.31	Calculated Property
η	0.0006434	Pa×s	401.52	Calculated Property
η	0.0005148	Pa×s	423.74	Calculated Property
η	0.0004212	Pa×s	445.96	Calculated Property
η	0.0003512	Pa×s	468.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[364.01; 513.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49623e+01
Coefficient B			-4.22683e+03
Coefficient C			-7.59800e+01
Temperature range, min.			364.01
Temperature range, max.			513.96
Pvap	1.33	kPa	364.01	Calculated Property
Pvap	2.97	kPa	380.67	Calculated Property
Pvap	6.10	kPa	397.33	Calculated Property
Pvap	11.67	kPa	413.99	Calculated Property
Pvap	21.01	kPa	430.65	Calculated Property
Pvap	35.86	kPa	447.32	Calculated Property
Pvap	58.46	kPa	463.98	Calculated Property
Pvap	91.55	kPa	480.64	Calculated Property
Pvap	138.37	kPa	497.30	Calculated Property
Pvap	202.67	kPa	513.96	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1,1,1,5-tetrachloro-.

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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