Chemical Properties of Ethane, pentachloro- (CAS 76-01-7)

InChI

InChI=1S/C2HCl5/c3-1(4)2(5,6)7/h1H

InChI Key

BNIXVQGCZULYKV-UHFFFAOYSA-N

Formula

C2HCl5

SMILES

ClC(Cl)C(Cl)(Cl)Cl

Molecular Weight¹

202.29

CAS

76-01-7

Other Names

• 1,1,1,2,2-pentachloroethane
• CHCl2CCl3
• ETHANEPENTACHLORIDE
• Ethane pentachloride
• Ethane, 1,1,1,2,2-pentachloro-
• NCI-C53894
• Pentachloorethaan
• Pentachloraethan
• Pentachlorethane
• Pentacloroetano
• Pentalin
• Pentaline
• R-120
• Rcra waste number U184
• UN 1669
• freon 120
• pentachloroethane

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fH°_liquid : Liquid phase 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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-862.30 ± 8.40	kJ/mol	NIST
μ	1.00	debye	KDB
ΔfG°	-66.70	kJ/mol	KDB
ΔfH°gas	[-155.90; -142.40]	kJ/mol
ΔfH°gas	-142.40	kJ/mol	KDB
ΔfH°gas	-155.90 ± 4.30	kJ/mol	NIST
ΔfH°gas	-145.00	kJ/mol	NIST
ΔfH°liquid	[-203.00; -191.00]	kJ/mol
ΔfH°liquid	-203.00 ± 4.00	kJ/mol	NIST
ΔfH°liquid	-191.00	kJ/mol	NIST
ΔfusH°	10.98	kJ/mol	Joback Calculated Property
ΔvapH°	47.40 ± 1.50	kJ/mol	NIST
IE	[11.00; 11.28]	eV
IE	11.00	eV	NIST
IE	11.28	eV	NIST
log10WS	[-2.60; -2.60]
log10WS	-2.60		Aq. Solubility Prediction
log10WS	-2.60		Estimated Solubility
logPoct/wat	3.160		Crippen Calculated Property
McVol	100.240	ml/mol	McGowan Calculated Property
Pc	3480.00	kPa	KDB
Inp	[950.00; 978.00]
Inp	965.00		NIST
Inp	Outlier 978.00		NIST
Inp	957.00		NIST
Inp	951.00		NIST
Inp	963.20		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	950.00		NIST
Inp	965.00		NIST
Inp	951.00		NIST
Inp	965.00		NIST
I	[1431.59; 1454.62]
I	1454.62		NIST
I	1431.59		NIST
I	1454.62		NIST
Tboil	[434.65; 435.20]	K
Tboil	435.00	K	KDB
Tboil	435.20	K	NIST
Tboil	435.00 ± 1.00	K	NIST
Tboil	434.65 ± 1.00	K	NIST
Tboil	435.10 ± 0.50	K	NIST
Tc	646.00	K	KDB
Tfus	[243.50; 244.22]	K
Tfus	244.00	K	KDB
Tfus	244.22	K	Aq. Solubility Prediction
Tfus	243.50 ± 1.00	K	NIST

Cheméo can also estimate Critical Volume, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[196.20; 218.00]	J/mol×K	[298.00; 360.00]
Cp,liquid	196.20	J/mol×K	298.00	NIST
Cp,liquid	218.00	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	218.00	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	218.00	J/mol×K	340.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	218.00	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	[40.90; 45.50]	kJ/mol	[354.00; 433.50]
ΔvapH	40.90	kJ/mol	354.00	NIST
ΔvapH	45.50	kJ/mol	366.50	NIST
ΔvapH	41.00	kJ/mol	433.50	KDB
ρl	1671.00	kg/m3	298.00	KDB
γ	0.03	N/m	298.20	KDB

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[113.16; 165.87]	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			3.93700e+01
Coefficient B			3.59500e-01
Coefficient C			-3.62000e-04
Coefficient D			1.29000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	113.16	J/mol×K	273.00	Calculated Property
Cp,gas	126.96	J/mol×K	353.78	Calculated Property
Cp,gas	137.82	J/mol×K	434.56	Calculated Property
Cp,gas	146.15	J/mol×K	515.33	Calculated Property
Cp,gas	152.36	J/mol×K	596.11	Calculated Property
Cp,gas	156.86	J/mol×K	676.89	Calculated Property
Cp,gas	160.05	J/mol×K	757.67	Calculated Property
Cp,gas	162.34	J/mol×K	838.44	Calculated Property
Cp,gas	164.15	J/mol×K	919.22	Calculated Property
Cp,gas	165.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0084792; 0.0003876]	Pa×s	[243.91; 452.20]	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			-1.14683e+01
Coefficient B			1.63372e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			243.91
Temperature range, max.			452.20
η	0.0084792	Pa×s	243.91	Calculated Property
η	0.0047452	Pa×s	267.05	Calculated Property
η	0.0029131	Pa×s	290.19	Calculated Property
η	0.0019221	Pa×s	313.34	Calculated Property
η	0.0013428	Pa×s	336.48	Calculated Property
η	0.0009825	Pa×s	359.63	Calculated Property
η	0.0007465	Pa×s	382.77	Calculated Property
η	0.0005853	Pa×s	405.91	Calculated Property
η	0.0004710	Pa×s	429.06	Calculated Property
η	0.0003876	Pa×s	452.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[315.72; 465.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37664e+01
Coefficient B			-3.40174e+03
Coefficient C			-6.33480e+01
Temperature range, min.			315.72
Temperature range, max.			465.68
Pvap	1.33	kPa	315.72	Calculated Property
Pvap	3.07	kPa	332.38	Calculated Property
Pvap	6.42	kPa	349.04	Calculated Property
Pvap	12.38	kPa	365.71	Calculated Property
Pvap	22.27	kPa	382.37	Calculated Property
Pvap	37.81	kPa	399.03	Calculated Property
Pvap	61.06	kPa	415.69	Calculated Property
Pvap	94.43	kPa	432.36	Calculated Property
Pvap	140.62	kPa	449.02	Calculated Property
Pvap	202.63	kPa	465.68	Calculated Property
Pvap	[6.96e-03; 3773.77]	kPa	[244.15; 665.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			1.06041e+02
Coefficient B			-9.09687e+03
Coefficient C			-1.35036e+01
Coefficient D			8.24216e-06
Coefficient E			0.00000e+00
Temperature range, min.			244.15
Temperature range, max.			665.00
Pvap	6.96e-03	kPa	244.15	Calculated Property
Pvap	0.32	kPa	290.91	Calculated Property
Pvap	4.14	kPa	337.67	Calculated Property
Pvap	25.17	kPa	384.43	Calculated Property
Pvap	95.21	kPa	431.19	Calculated Property
Pvap	265.14	kPa	477.96	Calculated Property
Pvap	603.29	kPa	524.72	Calculated Property
Pvap	1200.75	kPa	571.48	Calculated Property
Pvap	2188.93	kPa	618.24	Calculated Property
Pvap	3773.77	kPa	665.00	Calculated Property
Pvap	[0.52; 106.21]	kPa	[298.30; 435.40]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.32805e+01
Coefficient B			-3.09069e+03
Coefficient C			-7.66440e+01
Reference			Nelson, 1930
Temperature range, min.			298.30
Temperature range, max.			435.40
Pvap	0.52	kPa	298.30	Calculated Property
Pvap	1.26	kPa	313.53	Calculated Property
Pvap	2.78	kPa	328.77	Calculated Property
Pvap	5.59	kPa	344.00	Calculated Property
Pvap	10.42	kPa	359.23	Calculated Property
Pvap	18.23	kPa	374.47	Calculated Property
Pvap	30.20	kPa	389.70	Calculated Property
Pvap	47.75	kPa	404.93	Calculated Property
Pvap	72.49	kPa	420.17	Calculated Property
Pvap	106.21	kPa	435.40	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, pentachloro-.

Mixtures

• Ethane, pentachloro- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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