Chemical Properties of Heptane, 1-fluoro- (CAS 661-11-0)

InChI

InChI=1S/C7H15F/c1-2-3-4-5-6-7-8/h2-7H2,1H3

InChI Key

BITLXSQYFZTQGC-UHFFFAOYSA-N

Formula

C7H15F

SMILES

CCCCCCCF

Molecular Weight¹

118.19

CAS

661-11-0

Other Names

• 1-Fluoroheptane
• N-HEPTYL FLUORIDE

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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
ΔcH°liquid	-4692.40	kJ/mol	NIST
ΔfG°	-186.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-383.92	kJ/mol	Joback Calculated Property
ΔfusH°	16.97	kJ/mol	Joback Calculated Property
ΔvapH°	30.36	kJ/mol	Joback Calculated Property
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.926		Crippen Calculated Property
McVol	111.260	ml/mol	McGowan Calculated Property
Pc	2670.78	kPa	Joback Calculated Property
Inp	757.40		NIST
Tboil	[391.10; 392.85]	K
Tboil	392.85	K	KDB
Tboil	391.10	K	NIST
Tc	513.69	K	Joback Calculated Property
Tfus	169.24	K	Joback Calculated Property
Vc	0.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[202.35; 264.24]	J/mol×K	[358.83; 513.69]
Cp,gas	202.35	J/mol×K	358.83	Joback Calculated Property
Cp,gas	213.59	J/mol×K	384.64	Joback Calculated Property
Cp,gas	224.44	J/mol×K	410.45	Joback Calculated Property
Cp,gas	234.93	J/mol×K	436.26	Joback Calculated Property
Cp,gas	245.05	J/mol×K	462.07	Joback Calculated Property
Cp,gas	254.82	J/mol×K	487.88	Joback Calculated Property
Cp,gas	264.24	J/mol×K	513.69	Joback Calculated Property
ΔvapH	[40.30; 40.80]	kJ/mol	[352.00; 355.00]
ΔvapH	40.80	kJ/mol	352.00	NIST
ΔvapH	40.30	kJ/mol	355.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[287.84; 416.63]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45943e+01
Coefficient B			-3.40469e+03
Coefficient C			-4.98620e+01
Temperature range, min.			287.84
Temperature range, max.			416.63
Pvap	1.33	kPa	287.84	Calculated Property
Pvap	3.00	kPa	302.15	Calculated Property
Pvap	6.19	kPa	316.46	Calculated Property
Pvap	11.87	kPa	330.77	Calculated Property
Pvap	21.36	kPa	345.08	Calculated Property
Pvap	36.41	kPa	359.39	Calculated Property
Pvap	59.19	kPa	373.70	Calculated Property
Pvap	92.36	kPa	388.01	Calculated Property
Pvap	139.00	kPa	402.32	Calculated Property
Pvap	202.63	kPa	416.63	Calculated Property
Pvap	[1.30; 204.24]	kPa	[287.15; 417.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.62822e+01
Coefficient B			-8.05082e+03
Coefficient C			-1.21485e+01
Coefficient D			9.39053e-06
Temperature range, min.			287.15
Temperature range, max.			417.15
Pvap	1.30	kPa	287.15	Calculated Property
Pvap	2.96	kPa	301.59	Calculated Property
Pvap	6.18	kPa	316.04	Calculated Property
Pvap	11.93	kPa	330.48	Calculated Property
Pvap	21.56	kPa	344.93	Calculated Property
Pvap	36.83	kPa	359.37	Calculated Property
Pvap	59.90	kPa	373.82	Calculated Property
Pvap	93.38	kPa	388.26	Calculated Property
Pvap	140.32	kPa	402.71	Calculated Property
Pvap	204.24	kPa	417.15	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 1-fluoro-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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