Chemical Properties of Pentane, 1,2-dichloro- (CAS 1674-33-5)

InChI

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

InChI Key

PPLBPDUKNRCHGG-UHFFFAOYSA-N

Formula

C5H10Cl2

SMILES

CCCC(Cl)CCl

Molecular Weight¹

141.04

CAS

1674-33-5

Other Names

• 1,2-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).
• 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
ω	0.3221		Relay (1.0) Calculated Property
ΔfG°	-35.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-198.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.58	kJ/mol	Joback Calculated Property
ΔvapH°	[43.80; 44.40]	kJ/mol
ΔvapH°	43.90	kJ/mol	NIST
ΔvapH°	44.40	kJ/mol	NIST
ΔvapH°	43.80 ± 0.70	kJ/mol	NIST
log10WS	-2.87		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	[909.00; 909.00]
Inp	909.00		NIST
Inp	909.00		NIST
Inp	909.00		NIST
I	1218.00		NIST
Tboil	[419.30; 421.80]	K
Tboil	421.40	K	NIST
Tboil	420.00 ± 1.50	K	NIST
Tboil	421.65 ± 2.00	K	NIST
Tboil	421.80 ± 1.50	K	NIST
Tboil	419.30 ± 1.00	K	NIST
Tc	618.27	K	Relay (1.0) Calculated Property
Tfus	203.76	K	Relay (1.0) Calculated Property
Vc	0.386	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[36.45; 41.90]	kJ/mol	[375.00; 421.40]
ΔvapH	41.90	kJ/mol	375.00	NIST
ΔvapH	36.45	kJ/mol	421.40	NIST

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
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	[308.19; 449.74]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42174e+01
Coefficient B			-3.49541e+03
Coefficient C			-5.72590e+01
Temperature range, min.			308.19
Temperature range, max.			449.74
Pvap	1.33	kPa	308.19	Calculated Property
Pvap	3.03	kPa	323.92	Calculated Property
Pvap	6.29	kPa	339.65	Calculated Property
Pvap	12.09	kPa	355.37	Calculated Property
Pvap	21.76	kPa	371.10	Calculated Property
Pvap	37.02	kPa	386.83	Calculated Property
Pvap	60.01	kPa	402.56	Calculated Property
Pvap	93.27	kPa	418.28	Calculated Property
Pvap	139.72	kPa	434.01	Calculated Property
Pvap	202.64	kPa	449.74	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 1,2-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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