Chemical Properties of Pentane, 2,2-dichloro- (CAS 34887-14-4)

InChI

InChI=1S/C5H10Cl2/c1-3-4-5(2,6)7/h3-4H2,1-2H3

InChI Key

MNXVHBFCELLVBA-UHFFFAOYSA-N

Formula

C5H10Cl2

SMILES

CCCC(C)(Cl)Cl

Molecular Weight¹

141.04

CAS

34887-14-4

Other Names

• 2,2-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).
• 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	0.2648		Relay (1.0) Calculated Property
ΔfG°	-29.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-198.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.69	kJ/mol	Joback Calculated Property
ΔvapH°	40.73	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.21		Relay (1.0) Calculated Property
logPoct/wat	2.980		Crippen Calculated Property
McVol	105.790	ml/mol	McGowan Calculated Property
Pc	3254.14	kPa	Joback Calculated Property
Inp	[817.00; 831.00]
Inp	831.00		NIST
Inp	831.00		NIST
Inp	817.00		NIST
Inp	817.00		NIST
Inp	831.00		NIST
I	1043.00		NIST
Tboil	[399.65; 401.70]	K
Tboil	401.70	K	NIST
Tboil	399.65 ± 2.00	K	NIST
Tc	591.81	K	Relay (1.0) Calculated Property
Tfus	183.27	K	Relay (1.0) Calculated Property
Vc	0.390	m3/kmol	Relay (1.0) Calculated Property

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Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.90; 295.29]	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			-3.48000e-01
Coefficient B			6.18240e-01
Coefficient C			-4.60800e-04
Coefficient D			1.38200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.90	J/mol×K	273.00	Calculated Property
Cp,gas	166.82	J/mol×K	353.78	Calculated Property
Cp,gas	192.64	J/mol×K	434.56	Calculated Property
Cp,gas	214.79	J/mol×K	515.33	Calculated Property
Cp,gas	233.72	J/mol×K	596.11	Calculated Property
Cp,gas	249.86	J/mol×K	676.89	Calculated Property
Cp,gas	263.65	J/mol×K	757.67	Calculated Property
Cp,gas	275.53	J/mol×K	838.44	Calculated Property
Cp,gas	285.93	J/mol×K	919.22	Calculated Property
Cp,gas	295.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077359; 0.0003206]	Pa×s	[208.37; 405.54]	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			-1.14099e+01
Coefficient B			1.36442e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			208.37
Temperature range, max.			405.54
η	0.0077359	Pa×s	208.37	Calculated Property
η	0.0041492	Pa×s	230.28	Calculated Property
η	0.0024799	Pa×s	252.18	Calculated Property
η	0.0016093	Pa×s	274.09	Calculated Property
η	0.0011133	Pa×s	296.00	Calculated Property
η	0.0008103	Pa×s	317.91	Calculated Property
η	0.0006145	Pa×s	339.81	Calculated Property
η	0.0004818	Pa×s	361.72	Calculated Property
η	0.0003885	Pa×s	383.63	Calculated Property
η	0.0003206	Pa×s	405.54	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[299.31; 428.53]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.31975e+01
Coefficient B			-2.61861e+03
Coefficient C			-9.64700e+01
Temperature range, min.			299.31
Temperature range, max.			428.53
Pvap	1.33	kPa	299.31	Calculated Property
Pvap	3.13	kPa	313.67	Calculated Property
Pvap	6.61	kPa	328.03	Calculated Property
Pvap	12.79	kPa	342.38	Calculated Property
Pvap	23.02	kPa	356.74	Calculated Property
Pvap	38.95	kPa	371.10	Calculated Property
Pvap	62.56	kPa	385.46	Calculated Property
Pvap	96.06	kPa	399.81	Calculated Property
Pvap	141.90	kPa	414.17	Calculated Property
Pvap	202.65	kPa	428.53	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,2-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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