Chemical Properties of 1,1,1-Trichloro-3,3,3-trifluoropropane (CAS 7125-84-0)

InChI

InChI=1S/C3H2Cl3F3/c4-2(5,6)1-3(7,8)9/h1H2

InChI Key

MDNLZVVUMKSEKO-UHFFFAOYSA-N

Formula

C3H2Cl3F3

SMILES

FC(F)(F)CC(Cl)(Cl)Cl

Molecular Weight¹

201.40

CAS

7125-84-0

• 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).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• 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_c : Critical Temperature (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	199.91	J/mol×K	298.15	NIST
Csat	[191.10; 200.30]	J/mol×K	[250.00; 300.00]
Csat	191.10	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	193.00	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	194.80	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	195.40	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	196.60	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	198.50	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	200.00	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
Csat	200.30	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
ΔfusH	[14.07; 14.07]	kJ/mol	[232.69; 232.70]
ΔfusH	14.07	kJ/mol	232.69	NIST
ΔfusH	14.07	kJ/mol	232.70	NIST
ΔvapH	35.20	kJ/mol	342.50	NIST
ΔfusS	60.45	J/mol×K	232.69	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.01; 223.06]	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			8.16100e+00
Coefficient B			5.96200e-01
Coefficient C			-5.93400e-04
Coefficient D			2.12100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.01	J/mol×K	273.00	Calculated Property
Cp,gas	154.21	J/mol×K	353.78	Calculated Property
Cp,gas	172.59	J/mol×K	434.56	Calculated Property
Cp,gas	186.84	J/mol×K	515.33	Calculated Property
Cp,gas	197.63	J/mol×K	596.11	Calculated Property
Cp,gas	205.62	J/mol×K	676.89	Calculated Property
Cp,gas	211.49	J/mol×K	757.67	Calculated Property
Cp,gas	215.90	J/mol×K	838.44	Calculated Property
Cp,gas	219.54	J/mol×K	919.22	Calculated Property
Cp,gas	223.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[293.08; 352.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.52142e+01
Coefficient B			-5.83590e+03
Coefficient C			-5.89570e+01
Temperature range, min.			293.08
Temperature range, max.			352.18
Pvap	1.33	kPa	293.08	Calculated Property
Pvap	2.63	kPa	299.65	Calculated Property
Pvap	5.01	kPa	306.21	Calculated Property
Pvap	9.23	kPa	312.78	Calculated Property
Pvap	16.48	kPa	319.35	Calculated Property
Pvap	28.60	kPa	325.91	Calculated Property
Pvap	48.33	kPa	332.48	Calculated Property
Pvap	79.71	kPa	339.05	Calculated Property
Pvap	128.46	kPa	345.61	Calculated Property
Pvap	202.67	kPa	352.18	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,1-Trichloro-3,3,3-trifluoropropane.

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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