Propane, 3-chloro-1,1,1-trifluoro- (CAS 460-35-5)

InChI

InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2

InChI Key

ZPIFKCVYZBVZIV-UHFFFAOYSA-N

Formula

C3H4ClF3

SMILES

FC(F)(F)CCCl

Molecular Weight¹

132.51

CAS

460-35-5

Other Names

1,1,1-Trifluoro-3-chloropropane
1-Chloro-3,3,3-trifluoropropane
3,3,3-Trifluoro-1-chloropropane
3-Chloro-1,1,1-trifluoropropane
CF3CH2CH2Cl
Freon 253

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 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.

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Physical Properties

Property	Value	Unit	Source
Δ_cH°_liquid	-1504.20 ± 0.92	kJ/mol	NIST
Δ_fH°_liquid	-799.31 ± 0.92	kJ/mol	NIST
Δ_fusH°	9.55	kJ/mol	Joback Calculated Property
logP_oct/wat	2.178		Crippen Calculated Property
McVol	70.680	ml/mol	McGowan Calculated Property
S°_liquid	[271.67; 271.67]	J/mol×K
S°_liquid	271.67	J/mol×K	NIST
S°_liquid	271.67	J/mol×K	NIST
T_boil	319.00	K	NIST
T_c	478.30	K	Relay (1.0) Calculated Property
T_triple	[179.32; 179.40]	K
T_triple	179.32 ± 0.02	K	NIST
T_triple	179.40 ± 0.02	K	NIST
T_triple	179.32 ± 0.02	K	NIST
T_triple	179.40 ± 0.02	K	NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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
C_p,liquid	[171.08; 171.08]	J/mol×K	[298.15; 298.15]
C_p,liquid	171.08	J/mol×K	298.15	NIST
C_p,liquid	171.08	J/mol×K	298.15	NIST
C_sat	[154.40; 171.30]	J/mol×K	[180.00; 300.00]

C_sat	154.40	J/mol×K	180.00	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
C_sat	155.40	J/mol×K	190.00	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
C_sat	156.40	J/mol×K	200.00	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
C_sat	157.50	J/mol×K	210.00	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
C_sat	158.70	J/mol×K	220.00	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
C_sat	159.90	J/mol×K	230.00	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
C_sat	161.30	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
C_sat	162.70	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
C_sat	164.30	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
C_sat	165.90	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
C_sat	166.40	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
C_sat	167.60	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
C_sat	169.40	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
C_sat	170.90	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
C_sat	171.30	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
Δ_fusH	[4.49; 5.31]	kJ/mol	[169.80; 179.40]
Δ_fusH	4.49	kJ/mol	169.80	NIST
Δ_fusH	5.05	kJ/mol	179.30	NIST
Δ_fusH	5.31	kJ/mol	179.40	NIST
Δ_vapH	[29.90; 33.70]	kJ/mol	[306.00; 321.00]
Δ_vapH	29.90	kJ/mol	306.00	NIST
Δ_vapH	33.70	kJ/mol	321.00	NIST
Δ_fusS	[26.44; 28.20]	J/mol×K	[169.80; 179.30]
Δ_fusS	26.44	J/mol×K	169.80	NIST
Δ_fusS	28.20	J/mol×K	179.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[105.66; 205.05]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			6.85200e+00
Coefficient B			4.56800e-01
Coefficient C			-3.80800e-04
Coefficient D			1.22200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	105.66	J/mol×K	273.00	Calculated Property
C_p,gas	126.21	J/mol×K	353.78	Calculated Property
C_p,gas	143.48	J/mol×K	434.56	Calculated Property
C_p,gas	157.85	J/mol×K	515.33	Calculated Property
C_p,gas	169.72	J/mol×K	596.11	Calculated Property
C_p,gas	179.48	J/mol×K	676.89	Calculated Property
C_p,gas	187.50	J/mol×K	757.67	Calculated Property
C_p,gas	194.18	J/mol×K	838.44	Calculated Property
C_p,gas	199.90	J/mol×K	919.22	Calculated Property
C_p,gas	205.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.67]	kPa	[233.90; 340.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.38810e+01
Coefficient B			-2.47417e+03
Coefficient C			-5.18870e+01
Temperature range, min.			233.90
Temperature range, max.			340.61

P_vap	1.33	kPa	233.90	Calculated Property
P_vap	3.06	kPa	245.76	Calculated Property
P_vap	6.39	kPa	257.61	Calculated Property
P_vap	12.30	kPa	269.47	Calculated Property
P_vap	22.14	kPa	281.33	Calculated Property
P_vap	37.61	kPa	293.18	Calculated Property
P_vap	60.80	kPa	305.04	Calculated Property
P_vap	94.14	kPa	316.90	Calculated Property
P_vap	140.42	kPa	328.75	Calculated Property
P_vap	202.67	kPa	340.61	Calculated Property

Similar Compounds

Propane, 2,3,3-trichloro-1,1,1-trifluoro-.

Propane, 3-bromo-1-chloro-1,1-difluoro-.

Silane, trichloro(3,3,3-trifluoropropyl)-.

Find more compounds similar to Propane, 3-chloro-1,1,1-trifluoro-.

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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Chemical Properties of Propane, 3-chloro-1,1,1-trifluoro- (CAS 460-35-5)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources