Chemical Properties of Benzene, 1,3-diiodo- (CAS 626-00-6)

InChI

InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H

InChI Key

SFPQFQUXAJOWNF-UHFFFAOYSA-N

Formula

C6H4I2

SMILES

Ic1cccc(I)c1

Molecular Weight¹

329.91

CAS

626-00-6

Other Names

• 1,3-diiodobenzene
• Benzene, m-diiodo-
• m-diiodobenzene

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid 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).
• η : Dynamic viscosity (Pa×s).
• 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_fusH : Enthalpy of fusion at a given temperature (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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.2868		Relay (1.0) Calculated Property
ΔcH°solid	-3119.60 ± 4.20	kJ/mol	NIST
ΔfG°	218.66	kJ/mol	Joback Calculated Property
ΔfH°gas	230.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.76	kJ/mol	Joback Calculated Property
ΔvapH°	60.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-4.57		Relay (1.0) Calculated Property
logPoct/wat	2.896		Crippen Calculated Property
McVol	123.280	ml/mol	McGowan Calculated Property
Pc	4316.89	kPa	Joback Calculated Property
Inp	1431.00		NIST
I	[2161.00; 2161.00]
I	2161.00		NIST
I	2161.00		NIST
Tboil	558.20	K	NIST
Tc	788.86	K	Relay (1.0) Calculated Property
Tfus	[307.35; 310.00]	K
Tfus	308.00 ± 1.50	K	NIST
Tfus	310.00 ± 1.50	K	NIST
Tfus	307.35 ± 0.50	K	NIST
Vc	0.404	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[189.00; 193.00]	J/mol×K	[320.00; 340.00]
Cp,liquid	189.00	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
Cp,liquid	191.00	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
Cp,liquid	193.00	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
ΔfusH	[15.93; 15.94]	kJ/mol	[307.35; 307.40]
ΔfusH	15.94	kJ/mol	307.35	NIST
ΔfusH	15.93	kJ/mol	307.40	NIST
ΔfusH	15.93	kJ/mol	307.40	NIST
ΔfusS	51.90	J/mol×K	307.35	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.21; 225.65]	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			1.21000e+00
Coefficient B			5.13400e-01
Coefficient C			-4.29560e-04
Coefficient D			1.40600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.21	J/mol×K	273.00	Calculated Property
Cp,gas	135.30	J/mol×K	353.78	Calculated Property
Cp,gas	154.73	J/mol×K	434.56	Calculated Property
Cp,gas	170.95	J/mol×K	515.33	Calculated Property
Cp,gas	184.39	J/mol×K	596.11	Calculated Property
Cp,gas	195.51	J/mol×K	676.89	Calculated Property
Cp,gas	204.76	J/mol×K	757.67	Calculated Property
Cp,gas	212.56	J/mol×K	838.44	Calculated Property
Cp,gas	219.38	J/mol×K	919.22	Calculated Property
Cp,gas	225.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031815; 0.0002727]	Pa×s	[308.45; 596.81]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.08352e+01
Coefficient B			1.56840e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			308.45
Temperature range, max.			596.81
η	0.0031815	Pa×s	308.45	Calculated Property
η	0.0019716	Pa×s	340.49	Calculated Property
η	0.0013267	Pa×s	372.53	Calculated Property
η	0.0009505	Pa×s	404.57	Calculated Property
η	0.0007152	Pa×s	436.61	Calculated Property
η	0.0005594	Pa×s	468.65	Calculated Property
η	0.0004516	Pa×s	500.69	Calculated Property
η	0.0003741	Pa×s	532.73	Calculated Property
η	0.0003165	Pa×s	564.77	Calculated Property
η	0.0002727	Pa×s	596.81	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[423.52; 590.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51398e+01
Coefficient B			-4.85971e+03
Coefficient C			-9.63160e+01
Temperature range, min.			423.52
Temperature range, max.			590.77
Pvap	1.33	kPa	423.52	Calculated Property
Pvap	2.96	kPa	442.10	Calculated Property
Pvap	6.07	kPa	460.69	Calculated Property
Pvap	11.59	kPa	479.27	Calculated Property
Pvap	20.84	kPa	497.85	Calculated Property
Pvap	35.60	kPa	516.44	Calculated Property
Pvap	58.11	kPa	535.02	Calculated Property
Pvap	91.16	kPa	553.60	Calculated Property
Pvap	138.04	kPa	572.19	Calculated Property
Pvap	202.63	kPa	590.77	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1,3-diiodo-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Enthalpies of fusion and enthalpies of solvation of aromatic hydrocarbons derivatives: Estimation of sublimation enthalpies at 298.15K
• 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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