Chemical Properties of 1,1,1-Trifluorooctane (CAS 53392-86-2)

InChI

InChI=1S/C8H15F3/c1-2-3-4-5-6-7-8(9,10)11/h2-7H2,1H3

InChI Key

FHMDVJKRMUAZOO-UHFFFAOYSA-N

Formula

C8H15F3

SMILES

CCCCCCCC(F)(F)F

Molecular Weight¹

168.20

CAS

53392-86-2

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.4588		Relay (1.0) Calculated Property
ΔfG°	-565.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-853.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.30	kJ/mol	Joback Calculated Property
ΔvapH°	36.30	kJ/mol	Relay (1.0) Calculated Property
IE	11.00	eV	Relay (1.0) Calculated Property
log10WS	-4.19		Relay (1.0) Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
McVol	128.890	ml/mol	McGowan Calculated Property
Pc	2263.26	kPa	Joback Calculated Property
Inp	[720.00; 720.00]
Inp	720.00		NIST
Inp	720.00		NIST
Tboil	387.45	K	Relay (1.0) Calculated Property
Tc	521.34	K	Relay (1.0) Calculated Property
Tfus	183.66	K	Relay (1.0) Calculated Property
Vc	0.497	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.53; 325.90]	J/mol×K	[377.02; 525.40]
Cp,gas	257.53	J/mol×K	377.02	Joback Calculated Property
Cp,gas	270.17	J/mol×K	401.75	Joback Calculated Property
Cp,gas	282.29	J/mol×K	426.48	Joback Calculated Property
Cp,gas	293.91	J/mol×K	451.21	Joback Calculated Property
Cp,gas	305.04	J/mol×K	475.94	Joback Calculated Property
Cp,gas	315.70	J/mol×K	500.67	Joback Calculated Property
Cp,gas	325.90	J/mol×K	525.40	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[292.95; 454.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.27707e+01
Coefficient B			-3.00035e+03
Coefficient C			-5.26000e+01
Temperature range, min.			292.95
Temperature range, max.			454.84
Pvap	1.33	kPa	292.95	Calculated Property
Pvap	3.18	kPa	310.94	Calculated Property
Pvap	6.77	kPa	328.93	Calculated Property
Pvap	13.15	kPa	346.91	Calculated Property
Pvap	23.65	kPa	364.90	Calculated Property
Pvap	39.91	kPa	382.89	Calculated Property
Pvap	63.80	kPa	400.88	Calculated Property
Pvap	97.41	kPa	418.86	Calculated Property
Pvap	142.93	kPa	436.85	Calculated Property
Pvap	202.67	kPa	454.84	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,1-Trifluorooctane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.