Chemical Properties of Pentane, 2,4-dichloro- (CAS 625-67-2)

InChI

InChI=1S/C5H10Cl2/c1-4(6)3-5(2)7/h4-5H,3H2,1-2H3

InChI Key

DYGOBGYJRRKFEN-UHFFFAOYSA-N

Formula

C5H10Cl2

SMILES

CC(Cl)CC(C)Cl

Molecular Weight¹

141.04

CAS

625-67-2

Other Names

• 2,4-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).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.3379		Relay (1.0) Calculated Property
ΔfG°	-37.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-214.34	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.05	kJ/mol	Joback Calculated Property
ΔvapH°	45.76	kJ/mol	Relay (1.0) Calculated Property
IE	10.24	eV	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	2.631		Crippen Calculated Property
McVol	105.790	ml/mol	McGowan Calculated Property
Pc	3243.03	kPa	Joback Calculated Property
Inp	[867.00; 889.00]
Inp	867.00		NIST
Inp	889.00		NIST
I	[1158.00; 1194.00]
I	1158.00		NIST
I	1194.00		NIST
I	1158.00		NIST
Tboil	[414.65; 421.15]	K
Tboil	414.65 ± 3.00	K	NIST
Tboil	421.15 ± 2.00	K	NIST
Tboil	421.15 ± 2.00	K	NIST
Tc	605.63	K	Relay (1.0) Calculated Property
Tfus	215.28	K	Relay (1.0) Calculated Property
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.73; 294.90]	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			2.07610e+01
Coefficient B			5.04240e-01
Coefficient C			-2.95400e-04
Coefficient D			6.53000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.73	J/mol×K	273.00	Calculated Property
Cp,gas	165.07	J/mol×K	353.78	Calculated Property
Cp,gas	189.46	J/mol×K	434.56	Calculated Property
Cp,gas	211.10	J/mol×K	515.33	Calculated Property
Cp,gas	230.21	J/mol×K	596.11	Calculated Property
Cp,gas	246.98	J/mol×K	676.89	Calculated Property
Cp,gas	261.63	J/mol×K	757.67	Calculated Property
Cp,gas	274.36	J/mol×K	838.44	Calculated Property
Cp,gas	285.39	J/mol×K	919.22	Calculated Property
Cp,gas	294.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0132129; 0.0002803]	Pa×s	[175.95; 404.63]	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			-1.11439e+01
Coefficient B			1.19952e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			175.95
Temperature range, max.			404.63
η	0.0132129	Pa×s	175.95	Calculated Property
η	0.0055896	Pa×s	201.36	Calculated Property
η	0.0028674	Pa×s	226.77	Calculated Property
η	0.0016828	Pa×s	252.18	Calculated Property
η	0.0010888	Pa×s	277.59	Calculated Property
η	0.0007578	Pa×s	303.00	Calculated Property
η	0.0005579	Pa×s	328.41	Calculated Property
η	0.0004291	Pa×s	353.82	Calculated Property
η	0.0003419	Pa×s	379.23	Calculated Property
η	0.0002803	Pa×s	404.63	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[316.76; 439.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41308e+01
Coefficient B			-2.97640e+03
Coefficient C			-1.01754e+02
Temperature range, min.			316.76
Temperature range, max.			439.24
Pvap	1.33	kPa	316.76	Calculated Property
Pvap	3.04	kPa	330.37	Calculated Property
Pvap	6.32	kPa	343.98	Calculated Property
Pvap	12.14	kPa	357.59	Calculated Property
Pvap	21.85	kPa	371.20	Calculated Property
Pvap	37.16	kPa	384.80	Calculated Property
Pvap	60.20	kPa	398.41	Calculated Property
Pvap	93.48	kPa	412.02	Calculated Property
Pvap	139.89	kPa	425.63	Calculated Property
Pvap	202.64	kPa	439.24	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,4-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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