Chemical Properties of Naphthalene, 1-iodo- (CAS 90-14-2)

InChI

InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChI Key

NHPPIJMARIVBGU-UHFFFAOYSA-N

Formula

C10H7I

SMILES

Ic1cccc2ccccc12

Molecular Weight¹

254.07

CAS

90-14-2

Other Names

• 1-Iodonaphthalene
• 1-Iodonapthalene
• 1-Naphthyl iodide
• Iodonaphthalene
• «alpha»-Iodonaphthalene
• «alpha»-Iodonaphthalene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas 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_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).
• I_np : Non-polar retention indices.
• 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
ΔcH°liquid	-5096.90 ± 6.30	kJ/mol	NIST
ΔfG°	300.87	kJ/mol	Joback Calculated Property
ΔfH°gas	234.00 ± 8.80	kJ/mol	NIST
ΔfH°liquid	162.00 ± 6.30	kJ/mol	NIST
ΔfusH°	16.73	kJ/mol	Joback Calculated Property
ΔvapH°	[69.90; 72.40]	kJ/mol
ΔvapH°	69.90 ± 0.30	kJ/mol	NIST
ΔvapH°	72.40 ± 5.90	kJ/mol	NIST
IE	8.03	eV	NIST
log10WS	[-4.55; -4.55]
log10WS	-4.55		Aq. Sol...
log10WS	-4.55		Estimat...
logPoct/wat	3.444		Crippen Calculated Property
McVol	134.360	ml/mol	McGowan Calculated Property
Pc	3722.56	kPa	Joback Calculated Property
Inp	[1571.90; 1571.90]
Inp	1571.90		NIST
Inp	1571.90		NIST
Tboil	575.20	K	NIST
Tc	846.27	K	Joback Calculated Property
Tfus	280.00 ± 1.00	K	NIST
Vc	0.497	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[254.13; 310.30]	J/mol×K	[571.98; 846.27]
T(K) Ideal gas heat capacity (J/mol×K) 250 260 270 280 290 300 310 600 700 800
Cp,gas	254.13	J/mol×K	571.98	Joback Calculated Property
Cp,gas	265.95	J/mol×K	617.70	Joback Calculated Property
Cp,gas	276.61	J/mol×K	663.41	Joback Calculated Property
Cp,gas	286.25	J/mol×K	709.13	Joback Calculated Property
Cp,gas	294.99	J/mol×K	754.84	Joback Calculated Property
Cp,gas	302.96	J/mol×K	800.56	Joback Calculated Property
Cp,gas	310.30	J/mol×K	846.27	Joback Calculated Property
η	[0.0004067; 0.0020777]	Pa×s	[332.16; 571.98]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 400 500
η	0.0020777	Pa×s	332.16	Joback Calculated Property
η	0.0013681	Pa×s	372.13	Joback Calculated Property
η	0.0009769	Pa×s	412.10	Joback Calculated Property
η	0.0007404	Pa×s	452.07	Joback Calculated Property
η	0.0005870	Pa×s	492.04	Joback Calculated Property
η	0.0004819	Pa×s	532.01	Joback Calculated Property
η	0.0004067	Pa×s	571.98	Joback Calculated Property
ΔfusH	[15.91; 15.91]	kJ/mol	[280.00; 280.00]
ΔfusH	15.91	kJ/mol	280.00	NIST
ΔfusH	15.91	kJ/mol	280.00	NIST
ΔvapH	78.90	kJ/mol	374.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[426.31; 637.74]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.28130e+01
Coefficient B			-3.95428e+03
Coefficient C			-1.10607e+02
Temperature range, min.			426.31
Temperature range, max.			637.74
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 600
Pvap	1.33	kPa	426.31	Calculated Property
Pvap	3.17	kPa	449.80	Calculated Property
Pvap	6.76	kPa	473.29	Calculated Property
Pvap	13.11	kPa	496.79	Calculated Property
Pvap	23.59	kPa	520.28	Calculated Property
Pvap	39.81	kPa	543.77	Calculated Property
Pvap	63.68	kPa	567.26	Calculated Property
Pvap	97.27	kPa	590.76	Calculated Property
Pvap	142.82	kPa	614.25	Calculated Property
Pvap	202.66	kPa	637.74	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-iodo-.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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