Chemical Properties of Pentane, 1,4-dichloro- (CAS 626-92-6)

InChI

InChI=1S/C5H10Cl2/c1-5(7)3-2-4-6/h5H,2-4H2,1H3

InChI Key

IJZUPZAYWWVHIO-UHFFFAOYSA-N

Formula

C5H10Cl2

SMILES

CC(Cl)CCCCl

Molecular Weight¹

141.04

CAS

626-92-6

Other Names

• 1,4-Dichloropentane

• 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).
• 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.
• I_p : 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	0.3507		Relay (1.0) Calculated Property
ΔfG°	-35.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.58	kJ/mol	Joback Calculated Property
ΔvapH°	[48.10; 48.90]	kJ/mol
ΔvapH°	48.90	kJ/mol	NIST
ΔvapH°	48.10 ± 0.80	kJ/mol	NIST
IE	10.51	eV	Relay (1.0) Calculated Property
log10WS	-2.77		Relay (1.0) Calculated Property
logPoct/wat	2.633		Crippen Calculated Property
McVol	105.790	ml/mol	McGowan Calculated Property
Pc	3213.68	kPa	Joback Calculated Property
Inp	[959.00; 959.00]
Inp	959.00		NIST
Inp	959.00		NIST
Ip	1337.00		NIST
Tboil	435.15 ± 2.00	K	NIST
Tc	628.16	K	Relay (1.0) Calculated Property
Tfus	200.93	K	Relay (1.0) Calculated Property
Vc	0.387	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.05; 294.36]	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			2.24430e+01
Coefficient B			4.98320e-01
Coefficient C			-2.92200e-04
Coefficient D			6.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.05	J/mol×K	273.00	Calculated Property
Cp,gas	165.08	J/mol×K	353.78	Calculated Property
Cp,gas	189.21	J/mol×K	434.56	Calculated Property
Cp,gas	210.65	J/mol×K	515.33	Calculated Property
Cp,gas	229.60	J/mol×K	596.11	Calculated Property
Cp,gas	246.28	J/mol×K	676.89	Calculated Property
Cp,gas	260.88	J/mol×K	757.67	Calculated Property
Cp,gas	273.63	J/mol×K	838.44	Calculated Property
Cp,gas	284.72	J/mol×K	919.22	Calculated Property
Cp,gas	294.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0072543; 0.0002979]	Pa×s	[190.95; 401.79]	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			-1.10099e+01
Coefficient B			1.16170e+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.			190.95
Temperature range, max.			401.79
η	0.0072543	Pa×s	190.95	Calculated Property
η	0.0037314	Pa×s	214.38	Calculated Property
η	0.0021879	Pa×s	237.80	Calculated Property
η	0.0014118	Pa×s	261.23	Calculated Property
η	0.0009791	Pa×s	284.66	Calculated Property
η	0.0007179	Pa×s	308.08	Calculated Property
η	0.0005499	Pa×s	331.51	Calculated Property
η	0.0004364	Pa×s	354.94	Calculated Property
η	0.0003563	Pa×s	378.36	Calculated Property
η	0.0002979	Pa×s	401.79	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[327.35; 462.89]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35744e+01
Coefficient B			-2.96196e+03
Coefficient C			-1.04429e+02
Temperature range, min.			327.35
Temperature range, max.			462.89
Pvap	1.33	kPa	327.35	Calculated Property
Pvap	3.09	kPa	342.41	Calculated Property
Pvap	6.48	kPa	357.47	Calculated Property
Pvap	12.51	kPa	372.53	Calculated Property
Pvap	22.51	kPa	387.59	Calculated Property
Pvap	38.18	kPa	402.65	Calculated Property
Pvap	61.54	kPa	417.71	Calculated Property
Pvap	94.96	kPa	432.77	Calculated Property
Pvap	141.04	kPa	447.83	Calculated Property
Pvap	202.64	kPa	462.89	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1,4-dichloro-.

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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