Chemical Properties of Propane, 1,1,1,3-tetrachloro- (CAS 1070-78-6)

InChI

InChI=1S/C3H4Cl4/c4-2-1-3(5,6)7/h1-2H2

InChI Key

UTACNSITJSJFHA-UHFFFAOYSA-N

Formula

C3H4Cl4

SMILES

ClCCC(Cl)(Cl)Cl

Molecular Weight¹

181.88

CAS

1070-78-6

Other Names

• 1,1,1,3-Tetrachloropropane

• 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).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fusH : Enthalpy of fusion at a given temperature (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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-1638.00 ± 1.10	kJ/mol	NIST
ΔfH°gas	-150.92	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-208.70 ± 1.10	kJ/mol	NIST
ΔfusH°	12.90	kJ/mol	Joback Calculated Property
ΔvapH°	47.68	kJ/mol	Relay (1.0) Calculated Property
IE	10.91	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	2.986		Crippen Calculated Property
McVol	102.090	ml/mol	McGowan Calculated Property
Inp	[921.00; 921.00]
Inp	921.00		NIST
Inp	921.00		NIST
Inp	921.00		NIST
S°liquid	284.30	J/mol×K	NIST
Tboil	[430.90; 432.20]	K
Tboil	432.20	K	NIST
Tboil	432.00 ± 2.00	K	NIST
Tboil	430.90 ± 2.00	K	NIST
Tfus	220.44	K	Relay (1.0) Calculated Property
Ttriple	[237.74; 237.74]	K
Ttriple	237.74 ± 0.02	K	NIST
Ttriple	237.74 ± 0.02	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, 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	196.40	J/mol×K	298.15	NIST
Csat	[190.00; 196.50]	J/mol×K	[240.00; 298.15]
Csat	190.00	J/mol×K	240.00	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
Csat	190.70	J/mol×K	250.00	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
Csat	191.60	J/mol×K	260.00	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
Csat	192.70	J/mol×K	270.00	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
Csat	193.10	J/mol×K	273.15	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
Csat	193.90	J/mol×K	280.00	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
Csat	195.20	J/mol×K	290.00	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
Csat	196.50	J/mol×K	298.15	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
ΔfusH	[2.20; 10.49]	kJ/mol	[219.90; 237.70]
ΔfusH	2.20	kJ/mol	219.90	NIST
ΔfusH	10.49	kJ/mol	237.70	NIST
ΔfusH	10.49	kJ/mol	237.70	NIST
ΔvapH	57.80	kJ/mol	338.50	NIST
ΔfusS	[10.03; 44.13]	J/mol×K	[219.90; 237.70]
ΔfusS	10.03	J/mol×K	219.90	NIST
ΔfusS	44.13	J/mol×K	237.70	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.28; 208.65]	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			2.72520e+01
Coefficient B			4.41800e-01
Coefficient C			-3.92800e-04
Coefficient D			1.32400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.28	J/mol×K	273.00	Calculated Property
Cp,gas	140.25	J/mol×K	353.78	Calculated Property
Cp,gas	155.93	J/mol×K	434.56	Calculated Property
Cp,gas	168.73	J/mol×K	515.33	Calculated Property
Cp,gas	179.08	J/mol×K	596.11	Calculated Property
Cp,gas	187.39	J/mol×K	676.89	Calculated Property
Cp,gas	194.09	J/mol×K	757.67	Calculated Property
Cp,gas	199.58	J/mol×K	838.44	Calculated Property
Cp,gas	204.30	J/mol×K	919.22	Calculated Property
Cp,gas	208.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057209; 0.0003734]	Pa×s	[245.67; 439.87]	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			-1.13457e+01
Coefficient B			1.51874e+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.			245.67
Temperature range, max.			439.87
η	0.0057209	Pa×s	245.67	Calculated Property
η	0.0034728	Pa×s	267.25	Calculated Property
η	0.0022714	Pa×s	288.83	Calculated Property
η	0.0015760	Pa×s	310.40	Calculated Property
η	0.0011467	Pa×s	331.98	Calculated Property
η	0.0008673	Pa×s	353.56	Calculated Property
η	0.0006774	Pa×s	375.14	Calculated Property
η	0.0005436	Pa×s	396.72	Calculated Property
η	0.0004461	Pa×s	418.29	Calculated Property
η	0.0003734	Pa×s	439.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[318.72; 460.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44427e+01
Coefficient B			-3.64398e+03
Coefficient C			-6.12880e+01
Temperature range, min.			318.72
Temperature range, max.			460.36
Pvap	1.33	kPa	318.72	Calculated Property
Pvap	3.01	kPa	334.46	Calculated Property
Pvap	6.23	kPa	350.20	Calculated Property
Pvap	11.96	kPa	365.93	Calculated Property
Pvap	21.52	kPa	381.67	Calculated Property
Pvap	36.65	kPa	397.41	Calculated Property
Pvap	59.52	kPa	413.15	Calculated Property
Pvap	92.73	kPa	428.88	Calculated Property
Pvap	139.31	kPa	444.62	Calculated Property
Pvap	202.67	kPa	460.36	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1,1,3-tetrachloro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback 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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