Chemical Properties of Pentane, 2,3-dichloro- (CAS 600-11-3)

InChI

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

InChI Key

HVFJQRZGBBKTPL-UHFFFAOYSA-N

Formula

C5H10Cl2

SMILES

CCC(Cl)C(C)Cl

Molecular Weight¹

141.04

CAS

600-11-3

Other Names

• 2,3-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.
• 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	0.2879		Relay (1.0) Calculated Property
ΔfG°	-37.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.05	kJ/mol	Joback Calculated Property
ΔvapH°	44.33	kJ/mol	Relay (1.0) Calculated Property
IE	10.28	eV	Relay (1.0) Calculated Property
log10WS	-2.81		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	[844.00; 844.00]
Inp	844.00		NIST
Inp	844.00		NIST
Tboil	[411.15; 418.15]	K
Tboil	413.15 ± 2.00	K	NIST
Tboil	418.15 ± 4.00	K	NIST
Tboil	414.00 ± 2.00	K	NIST
Tboil	417.00 ± 2.00	K	NIST
Tboil	411.15 ± 1.50	K	NIST
Tc	612.63	K	Relay (1.0) Calculated Property
Tfus	212.82	K	Relay (1.0) Calculated Property
Vc	0.388	m3/kmol	Relay (1.0) Calculated Property

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
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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; 202.66]	kPa	[309.18; 440.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33760e+01
Coefficient B			-2.75188e+03
Coefficient C			-9.89230e+01
Temperature range, min.			309.18
Temperature range, max.			440.16
Pvap	1.33	kPa	309.18	Calculated Property
Pvap	3.11	kPa	323.73	Calculated Property
Pvap	6.55	kPa	338.29	Calculated Property
Pvap	12.66	kPa	352.84	Calculated Property
Pvap	22.78	kPa	367.39	Calculated Property
Pvap	38.58	kPa	381.95	Calculated Property
Pvap	62.07	kPa	396.50	Calculated Property
Pvap	95.54	kPa	411.05	Calculated Property
Pvap	141.49	kPa	425.61	Calculated Property
Pvap	202.66	kPa	440.16	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,3-dichloro-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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