Benzene, 1,2-difluoro- (CAS 367-11-3)

InChI

InChI=1S/C6H4F2/c7-5-3-1-2-4-6(5)8/h1-4H

InChI Key

GOYDNIKZWGIXJT-UHFFFAOYSA-N

Formula

C6H4F2

SMILES

Fc1ccccc1F

Molecular Weight¹

114.09

CAS

367-11-3

Other Names

1,2-difluorobenzene
Benzene, o-difluoro-
benzene, 1,2-difluror-
o-difluorobenzene
ortho-Difluorobenzene

ω : Acentric Factor.
PAff : Proton affinity (kJ/mol).
BasG : Gas basicity (kJ/mol).
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_fG° : Standard Gibbs free energy of formation (kJ/mol).
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_c : Critical Pressure (kPa).
P_vap : Vapor pressure (kPa).
ρ_l : Liquid Density (kg/m³).
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_c : Critical Temperature (K).
T_fus : Normal melting (fusion) point (K).
T_triple : Triple Point Temperature (K).
V_c : Critical Volume (m³/kmol).
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.2653		Relay (1.0) Calculated Property
PAff	731.20	kJ/mol	NIST
BasG	703.50	kJ/mol	NIST
Δ_cH°_liquid	-2960.70 ± 0.54	kJ/mol	NIST
Δ_fG°	-287.20	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-283.00 ± 0.92	kJ/mol	NIST
Δ_fH°_liquid	-319.20 ± 0.92	kJ/mol	NIST
Δ_fusH°	11.11	kJ/mol	Joback Calculated Property
Δ_vapH°	[36.20; 36.24]	kJ/mol
Δ_vapH°	36.24	kJ/mol	NIST
Δ_vapH°	36.20	kJ/mol	NIST
Δ_vapH°	36.20	kJ/mol	NIST
Δ_vapH°	36.20 ± 0.08	kJ/mol	NIST
Δ_vapH°	36.20	kJ/mol	NIST
IE	[9.28; 9.74]	eV
IE	9.29 ± 0.01	eV	NIST
IE	9.28 ± 0.01	eV	NIST
IE	9.30	eV	NIST
IE	9.74 ± 0.02	eV	NIST
IE	9.31	eV	NIST
IE	9.30	eV	NIST
IE	9.60 ± 0.03	eV	NIST
log₁₀WS	-1.81		Relay (1.0) Calculated Property
logP_oct/wat	1.965		Crippen Calculated Property
McVol	75.180	ml/mol	McGowan Calculated Property
P_c	4067.32	kPa	Joback Calculated Property
I_np	[674.40; 681.00]
I_np	674.40		NIST
I_np	681.00		NIST
I_np	675.00		NIST
I_np	674.40		NIST
S°_liquid	222.59	J/mol×K	NIST
T_boil	[364.50; 367.10]	K
T_boil	365.20	K	NIST
T_boil	364.50 ± 0.50	K	NIST
T_boil	367.10	K	NIST
T_c	557.30	K	NIST
T_fus	217.17	K	Relay (1.0) Calculated Property
T_triple	[226.01; 226.01]	K
T_triple	226.01 ± 0.01	K	NIST
T_triple	226.01 ± 0.01	K	NIST
V_c	0.280	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[121.70; 165.40]	J/mol×K	[367.08; 558.14]

C_p,gas	121.70	J/mol×K	367.08	Joback Calculated Property
C_p,gas	130.01	J/mol×K	398.92	Joback Calculated Property
C_p,gas	137.90	J/mol×K	430.77	Joback Calculated Property
C_p,gas	145.37	J/mol×K	462.61	Joback Calculated Property
C_p,gas	152.43	J/mol×K	494.45	Joback Calculated Property
C_p,gas	159.10	J/mol×K	526.30	Joback Calculated Property
C_p,gas	165.40	J/mol×K	558.14	Joback Calculated Property
C_p,liquid	[159.03; 159.40]	J/mol×K	[298.15; 298.15]
C_p,liquid	159.03	J/mol×K	298.15	NIST
C_p,liquid	159.40	J/mol×K	298.15	NIST
C_sat	[142.60; 174.40]	J/mol×K	[230.00; 360.00]

C_sat	142.60	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	144.70	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	146.90	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	149.30	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	151.80	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
C_sat	152.60	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	154.30	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	156.90	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	159.10	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	159.50	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
C_sat	162.20	J/mol×K	310.00	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	164.80	J/mol×K	320.00	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	167.30	J/mol×K	330.00	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	169.80	J/mol×K	340.00	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	172.20	J/mol×K	350.00	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	174.40	J/mol×K	360.00	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	[11.05; 11.05]	kJ/mol	[226.00; 226.01]
Δ_fusH	11.05	kJ/mol	226.00	NIST
Δ_fusH	11.05	kJ/mol	226.00	NIST
Δ_fusH	11.05	kJ/mol	226.01	NIST
Δ_fusH	11.05	kJ/mol	226.01	NIST
Δ_vapH	[32.20; 35.50]	kJ/mol	[327.00; 367.10]

Δ_vapH	34.60 ± 0.10	kJ/mol	327.00	NIST
Δ_vapH	34.60 ± 0.10	kJ/mol	327.00	NIST
Δ_vapH	33.50 ± 0.10	kJ/mol	345.00	NIST
Δ_vapH	33.50 ± 0.10	kJ/mol	345.00	NIST
Δ_vapH	35.50	kJ/mol	353.50	NIST
Δ_vapH	35.50	kJ/mol	353.50	NIST
Δ_vapH	32.20 ± 0.10	kJ/mol	367.00	NIST
Δ_vapH	32.20 ± 0.10	kJ/mol	367.00	NIST
Δ_vapH	32.21	kJ/mol	367.10	NIST
ρ_l	[1117.00; 1156.00]	kg/m³	[296.20; 331.10]
ρ_l	1156.00	kg/m³	296.20	Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
ρ_l	1117.00	kg/m³	331.10	Liquid-Liquid Equilibria in Binary Mixtures Containing Fluorinated Benzenes and Ionic Liquid 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide
Δ_fusS	[48.87; 48.87]	J/mol×K	[226.01; 226.01]
Δ_fusS	48.87	J/mol×K	226.01	NIST
Δ_fusS	48.87	J/mol×K	226.01	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	364.70	K	100.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.64]	kPa	[269.41; 389.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42556e+01
Coefficient B			-2.97732e+03
Coefficient C			-5.62610e+01
Temperature range, min.			269.41
Temperature range, max.			389.14

P_vap	1.33	kPa	269.41	Calculated Property
P_vap	3.03	kPa	282.71	Calculated Property
P_vap	6.28	kPa	296.02	Calculated Property
P_vap	12.06	kPa	309.32	Calculated Property
P_vap	21.71	kPa	322.62	Calculated Property
P_vap	36.95	kPa	335.93	Calculated Property
P_vap	59.92	kPa	349.23	Calculated Property
P_vap	93.17	kPa	362.53	Calculated Property
P_vap	139.64	kPa	375.84	Calculated Property
P_vap	202.64	kPa	389.14	Calculated Property
P_vap	[9.52; 282.03]	kPa	[304.15; 405.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			7.47430e+01
Coefficient B			-6.68596e+03
Coefficient C			-8.94050e+00
Coefficient D			6.59509e-06
Temperature range, min.			304.15
Temperature range, max.			405.15

P_vap	9.52	kPa	304.15	Calculated Property
P_vap	15.76	kPa	315.37	Calculated Property
P_vap	25.04	kPa	326.59	Calculated Property
P_vap	38.39	kPa	337.82	Calculated Property
P_vap	56.99	kPa	349.04	Calculated Property
P_vap	82.19	kPa	360.26	Calculated Property
P_vap	115.54	kPa	371.48	Calculated Property
P_vap	158.72	kPa	382.71	Calculated Property
P_vap	213.56	kPa	393.93	Calculated Property
P_vap	282.03	kPa	405.15	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,2-difluoro-.

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