Chemical Properties of Propane, 1,3-diiodo- (CAS 627-31-6)

InChI

InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2

InChI Key

AAAXMNYUNVCMCJ-UHFFFAOYSA-N

Formula

C3H6I2

SMILES

ICCCI

Molecular Weight¹

295.89

CAS

627-31-6

Other Names

• 1,3-Diiodopropane
• Trimethylene diiodide

• ω : Acentric Factor.
• 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).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2862		Relay (1.0) Calculated Property
ΔcH°liquid	-2029.10 ± 1.00	kJ/mol	NIST
ΔfH°gas	[44.00; 45.20]	kJ/mol
ΔfH°gas	45.20 ± 1.50	kJ/mol	NIST
ΔfH°gas	44.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-8.90 ± 1.40	kJ/mol	NIST
ΔfusH°	12.34	kJ/mol	Joback Calculated Property
ΔvapH°	[54.10; 54.10]	kJ/mol
ΔvapH°	54.10 ± 0.60	kJ/mol	NIST
ΔvapH°	54.10	kJ/mol	NIST
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	2.247		Crippen Calculated Property
McVol	104.770	ml/mol	McGowan Calculated Property
Pc	4162.33	kPa	Joback Calculated Property
Tboil	469.33	K	Relay (1.0) Calculated Property
Tc	739.59	K	Relay (1.0) Calculated Property
Tfus	253.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.359	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[103.28; 192.44]	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			2.35430e+01
Coefficient B			3.66800e-01
Coefficient C			-3.02200e-04
Coefficient D			1.04300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	103.28	J/mol×K	273.00	Calculated Property
Cp,gas	120.10	J/mol×K	353.78	Calculated Property
Cp,gas	134.43	J/mol×K	434.56	Calculated Property
Cp,gas	146.59	J/mol×K	515.33	Calculated Property
Cp,gas	156.90	J/mol×K	596.11	Calculated Property
Cp,gas	165.71	J/mol×K	676.89	Calculated Property
Cp,gas	173.34	J/mol×K	757.67	Calculated Property
Cp,gas	180.12	J/mol×K	838.44	Calculated Property
Cp,gas	186.38	J/mol×K	919.22	Calculated Property
Cp,gas	192.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044857; 0.0003685]	Pa×s	[253.15; 491.83]	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			-1.05570e+01
Coefficient B			1.30376e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			253.15
Temperature range, max.			491.83
η	0.0044857	Pa×s	253.15	Calculated Property
η	0.0027525	Pa×s	279.67	Calculated Property
η	0.0018381	Pa×s	306.19	Calculated Property
η	0.0013091	Pa×s	332.71	Calculated Property
η	0.0009803	Pa×s	359.23	Calculated Property
η	0.0007638	Pa×s	385.75	Calculated Property
η	0.0006145	Pa×s	412.27	Calculated Property
η	0.0005076	Pa×s	438.79	Calculated Property
η	0.0004286	Pa×s	465.31	Calculated Property
η	0.0003685	Pa×s	491.83	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[368.47; 553.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.18314e+01
Coefficient B			-2.76877e+03
Coefficient C			-1.28620e+02
Temperature range, min.			368.47
Temperature range, max.			553.28
Pvap	1.33	kPa	368.47	Calculated Property
Pvap	3.31	kPa	389.00	Calculated Property
Pvap	7.21	kPa	409.54	Calculated Property
Pvap	14.11	kPa	430.07	Calculated Property
Pvap	25.34	kPa	450.61	Calculated Property
Pvap	42.43	kPa	471.14	Calculated Property
Pvap	67.03	kPa	491.68	Calculated Property
Pvap	100.82	kPa	512.21	Calculated Property
Pvap	145.49	kPa	532.75	Calculated Property
Pvap	202.64	kPa	553.28	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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