Chemical Properties of Naphthalene, 2-methyl- (CAS 91-57-6)

InChI

InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3

InChI Key

QIMMUPPBPVKWKM-UHFFFAOYSA-N

Formula

C11H10

SMILES

Cc1ccc2ccccc2c1

Molecular Weight¹

142.20

CAS

91-57-6

Other Names

• 2-Methylnaphthalene
• 2-Methylnapthalene
• 2-methyInaphthalene
• BETA-METHYLNAPHTHALENE
• Methyl-2-naphthalene
• «beta»-Methylnaphthalene
• «beta»-Methylnaphthalene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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.
• I : 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).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (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).
• v_spec : Specific Volume (m³/kg).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3820		KDB
PAff	[830.90; 831.90]	kJ/mol
PAff	831.90	kJ/mol	NIST
PAff	830.90	kJ/mol	NIST
BasG	[802.10; 802.40]	kJ/mol
BasG	802.40	kJ/mol	NIST
BasG	802.10	kJ/mol	NIST
ΔcH°solid	[-5802.70; -5792.70]	kJ/mol
ΔcH°solid	-5802.70 ± 1.50	kJ/mol	NIST
ΔcH°solid	-5792.70 ± 2.20	kJ/mol	NIST
μ	0.40	debye	KDB
EA	0.14 ± 0.07	eV	NIST
ΔfG°	216.30	kJ/mol	KDB
ΔfH°gas	[106.20; 116.20]	kJ/mol
ΔfH°gas	116.20	kJ/mol	KDB
ΔfH°gas	116.10 ± 2.60	kJ/mol	NIST
ΔfH°gas	106.20	kJ/mol	NIST
ΔfH°solid	[35.00; 44.90]	kJ/mol
ΔfH°solid	44.90 ± 1.50	kJ/mol	NIST
ΔfH°solid	35.00 ± 2.20	kJ/mol	NIST
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔsubH°	[65.69; 71.30]	kJ/mol
ΔsubH°	65.69 ± 0.84	kJ/mol	NIST
ΔsubH°	71.30 ± 2.10	kJ/mol	NIST
ΔsubH°	71.20	kJ/mol	NIST
ΔvapH°	45.31	kJ/mol	NIST
IE	[7.80; 8.45]	eV
IE	7.91 ± 0.06	eV	NIST
IE	7.91 ± 0.02	eV	NIST
IE	7.80	eV	NIST
IE	7.83	eV	NIST
IE	Outlier 8.45 ± 0.05	eV	NIST
IE	8.10 ± 0.03	eV	NIST
IE	7.96 ± 0.01	eV	NIST
IE	7.85	eV	NIST
IE	7.93	eV	NIST
IE	8.01 ± 0.03	eV	NIST
IE	7.93	eV	NIST
log10WS	[-3.77; -3.77]
log10WS	-3.77		Aq. Solubility Prediction
log10WS	-3.77		Estimated Solubility
logPoct/wat	3.148		Crippen Calculated Property
McVol	122.630	ml/mol	McGowan Calculated Property
Pc	[3293.06; 3500.00]	kPa
Pc	3500.00	kPa	KDB
Pc	3293.06 ± 151.99	kPa	NIST
Inp	[216.19; 1318.00]
Inp	1259.00		NIST
Inp	1278.70		NIST
Inp	1300.00		NIST
Inp	1300.00		NIST
Inp	1301.00		NIST
Inp	1307.00		NIST
Inp	1264.00		NIST
Inp	1264.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1262.00		NIST
Inp	1263.00		NIST
Inp	1263.00		NIST
Inp	1263.00		NIST
Inp	1294.00		NIST
Inp	1265.00		NIST
Inp	1286.00		NIST
Inp	1300.00		NIST
Inp	1252.00		NIST
Inp	1265.50		NIST
Inp	1271.10		NIST
Inp	1293.90		NIST
Inp	1287.00		NIST
Inp	1265.50		NIST
Inp	1271.10		NIST
Inp	1304.00		NIST
Inp	1267.00		NIST
Inp	1271.00		NIST
Inp	1278.00		NIST
Inp	1279.00		NIST
Inp	1281.00		NIST
Inp	1282.60		NIST
Inp	1285.00		NIST
Inp	1315.30		NIST
Inp	1312.00		NIST
Inp	1298.00		NIST
Inp	1281.50		NIST
Inp	1290.50		NIST
Inp	1296.30		NIST
Inp	1281.50		NIST
Inp	1290.50		NIST
Inp	1296.30		NIST
Inp	1284.00		NIST
Inp	1270.79		NIST
Inp	1271.01		NIST
Inp	1271.00		NIST
Inp	1299.00		NIST
Inp	1267.00		NIST
Inp	1318.00		NIST
Inp	1290.60		NIST
Inp	1312.00		NIST
Inp	1314.00		NIST
Inp	1277.00		NIST
Inp	1286.00		NIST
Inp	1271.00		NIST
Inp	1303.00		NIST
Inp	1304.00		NIST
Inp	1286.00		NIST
Inp	1287.00		NIST
Inp	1291.00		NIST
Inp	1276.00		NIST
Inp	1279.00		NIST
Inp	1280.00		NIST
Inp	1280.00		NIST
Inp	1296.00		NIST
Inp	1292.00		NIST
Inp	1286.00		NIST
Inp	1273.00		NIST
Inp	1299.00		NIST
Inp	1299.00		NIST
Inp	1300.00		NIST
Inp	1299.00		NIST
Inp	1300.00		NIST
Inp	1301.00		NIST
Inp	1306.00		NIST
Inp	1294.80		NIST
Inp	1270.00		NIST
Inp	1310.00		NIST
Inp	1269.00		NIST
Inp	1278.00		NIST
Inp	1273.00		NIST
Inp	1263.00		NIST
Inp	1264.00		NIST
Inp	1267.00		NIST
Inp	1264.00		NIST
Inp	1267.00		NIST
Inp	1288.00		NIST
Inp	1274.00		NIST
Inp	1291.00		NIST
Inp	1307.00		NIST
Inp	1308.00		NIST
Inp	1315.00		NIST
Inp	1310.00		NIST
Inp	1312.00		NIST
Inp	1289.00		NIST
Inp	1277.00		NIST
Inp	1303.00		NIST
Inp	1276.00		NIST
Inp	1266.00		NIST
Inp	1286.80		NIST
Inp	1263.00		NIST
Inp	1298.00		NIST
Inp	1299.00		NIST
Inp	1271.00		NIST
Inp	1257.00		NIST
Inp	1268.00		NIST
Inp	1273.00		NIST
Inp	1283.00		NIST
Inp	1287.00		NIST
Inp	1313.00		NIST
Inp	1313.00		NIST
Inp	221.10		NIST
Inp	221.50		NIST
Inp	224.90		NIST
Inp	218.14		NIST
Inp	220.10		NIST
Inp	220.22		NIST
Inp	220.22		NIST
Inp	221.51		NIST
Inp	220.98		NIST
Inp	220.93		NIST
Inp	220.73		NIST
Inp	220.89		NIST
Inp	220.11		NIST
Inp	219.13		NIST
Inp	220.93		NIST
Inp	221.27		NIST
Inp	221.10		NIST
Inp	220.50		NIST
Inp	220.53		NIST
Inp	217.33		NIST
Inp	220.47		NIST
Inp	221.57		NIST
Inp	217.00		NIST
Inp	216.19		NIST
Inp	216.60		NIST
Inp	220.22		NIST
Inp	218.14		NIST
Inp	221.50		NIST
Inp	221.10		NIST
Inp	220.47		NIST
Inp	221.10		NIST
Inp	221.20		NIST
Inp	217.29		NIST
Inp	219.86		NIST
Inp	218.10		NIST
Inp	220.10		NIST
Inp	220.10		NIST
Inp	221.22		NIST
Inp	216.32		NIST
Inp	218.74		NIST
Inp	218.14		NIST
Inp	220.06		NIST
Inp	220.40		NIST
Inp	220.20		NIST
Inp	220.50		NIST
Inp	218.14		NIST
Inp	218.21		NIST
Inp	218.14		NIST
Inp	1282.60		NIST
Inp	1304.00		NIST
Inp	1279.00		NIST
Inp	1259.00		NIST
Inp	1307.00		NIST
Inp	1262.00		NIST
Inp	1263.00		NIST
Inp	1252.00		NIST
Inp	1265.50		NIST
Inp	1292.00		NIST
Inp	1300.00		NIST
Inp	1294.80		NIST
Inp	1273.00		NIST
Inp	1267.00		NIST
I	[1809.00; 1877.00]
I	1877.00		NIST
I	1856.00		NIST
I	1856.00		NIST
I	1859.00		NIST
I	1859.00		NIST
I	1877.00		NIST
I	1860.00		NIST
I	1868.00		NIST
I	1868.00		NIST
I	1863.00		NIST
I	1868.00		NIST
I	1872.00		NIST
I	1856.00		NIST
I	Outlier 1809.00		NIST
I	1856.00		NIST
I	1845.00		NIST
I	1852.00		NIST
I	1852.00		NIST
S°liquid	[203.80; 219.99]	J/mol×K
S°liquid	219.99	J/mol×K	NIST
S°liquid	203.80	J/mol×K	NIST
Tboil	[513.00; 517.25]	K
Tboil	514.26	K	KDB
Tboil	514.20	K	Critical properties of some alkylnaphthalenes
Tboil	514.20	K	NIST
Tboil	Outlier 517.25 ± 0.50	K	NIST
Tboil	514.00 ± 3.00	K	NIST
Tboil	514.20 ± 0.08	K	NIST
Tboil	513.00 ± 5.00	K	NIST
Tboil	514.00 ± 3.00	K	NIST
Tboil	514.30 ± 0.60	K	NIST
Tboil	514.00 ± 2.77	K	NIST
Tboil	514.00 ± 2.00	K	NIST
Tboil	514.00 ± 3.00	K	NIST
Tboil	514.00 ± 3.00	K	NIST
Tboil	514.30 ± 0.50	K	NIST
Tboil	514.29 ± 0.20	K	NIST
Tboil	514.29 ± 0.20	K	NIST
Tboil	515.00 ± 1.00	K	NIST
Tboil	516.00 ± 5.00	K	NIST
Tc	[761.00; 764.55]	K
Tc	761.00	K	KDB
Tc	761.00 ± 1.00	K	NIST
Tc	761.15 ± 1.50	K	NIST
Tc	764.55 ± 2.00	K	NIST
Tfus	[306.85; 307.85]	K
Tfus	307.50	K	KDB
Tfus	306.85	K	Aq. Solubility Prediction
Tfus	307.85	K	Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
Ttriple	[307.20; 307.72]	K
Ttriple	307.72 ± 0.08	K	NIST
Ttriple	307.72 ± 0.05	K	NIST
Ttriple	307.20 ± 0.25	K	NIST
Vc	0.462	m3/kmol	KDB
Zc	0.2555580		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.16; 323.67]	J/mol×K	[501.72; 736.41]
Cp,gas	252.16	J/mol×K	501.72	Joback Calculated Property
Cp,gas	266.51	J/mol×K	540.83	Joback Calculated Property
Cp,gas	279.78	J/mol×K	579.95	Joback Calculated Property
Cp,gas	292.07	J/mol×K	619.06	Joback Calculated Property
Cp,gas	303.43	J/mol×K	658.18	Joback Calculated Property
Cp,gas	313.94	J/mol×K	697.29	Joback Calculated Property
Cp,gas	323.67	J/mol×K	736.41	Joback Calculated Property
Cp,liquid	[195.98; 228.00]	J/mol×K	[298.15; 310.40]
Cp,liquid	195.98	J/mol×K	298.15	NIST
Cp,liquid	228.00	J/mol×K	310.40	NIST
η	[0.0003074; 0.0014596]	Pa×s	[285.37; 501.72]
η	0.0014596	Pa×s	285.37	Joback Calculated Property
η	0.0009733	Pa×s	321.43	Joback Calculated Property
η	0.0007043	Pa×s	357.49	Joback Calculated Property
η	0.0005408	Pa×s	393.55	Joback Calculated Property
η	0.0004341	Pa×s	429.60	Joback Calculated Property
η	0.0003605	Pa×s	465.66	Joback Calculated Property
η	0.0003074	Pa×s	501.72	Joback Calculated Property
ΔfusH	[5.61; 12.13]	kJ/mol	[288.50; 307.70]
ΔfusH	5.61	kJ/mol	288.50	NIST
ΔfusH	11.97	kJ/mol	307.20	NIST
ΔfusH	12.13	kJ/mol	307.70	NIST
ΔfusH	12.13	kJ/mol	307.70	NIST
ΔsubH	61.71 ± 0.84	kJ/mol	283.00	NIST
ΔvapH	[46.02; 51.20]	kJ/mol	[469.00; 514.20]
ΔvapH	51.20	kJ/mol	469.00	NIST
ΔvapH	48.40	kJ/mol	479.50	NIST
ΔvapH	46.40	kJ/mol	479.50	NIST
ΔvapH	46.02	kJ/mol	514.20	KDB
ρl	[990.00; 995.60]	kg/m3	[308.15; 313.00]
ρl	995.60	kg/m3	308.15	Liquid-liquid phase equilibrium for ternary mixtures of formamide (or ethylene glycol, or monoethanolamine) + indole + 2-methylnaphthalene at 308.15 K
ρl	990.00	kg/m3	313.00	KDB
ΔfusS	[19.43; 39.43]	J/mol×K	[288.50; 307.70]
ΔfusS	19.43	J/mol×K	288.50	NIST
ΔfusS	39.00	J/mol×K	307.20	NIST
ΔfusS	39.43	J/mol×K	307.70	NIST
γ	0.03	N/m	353.20	KDB

Datasets

Specific volume, m3/kg

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Specific volume, m3/kg - Liquid
303.15	100.00	0.0010
313.15	100.00	0.0010
323.15	100.00	0.0010
333.14	100.00	0.0010
333.15	100.00	0.0010
333.15	10000.00	0.0010
333.15	20000.00	0.0010
333.15	30000.00	0.0010
333.15	40000.00	0.0010
333.15	50000.00	0.0010
333.15	60000.00	0.0010
333.15	70000.00	0.0010
333.15	80000.00	0.0010
333.15	90000.00	0.0010
333.15	100000.00	0.0010
343.15	100.00	0.0010
343.15	10000.00	0.0010
343.15	20000.00	0.0010
343.15	30000.00	0.0010
343.15	40000.00	0.0010
343.15	50000.00	0.0010
343.15	60000.00	0.0010
343.15	70000.00	0.0010
343.15	80000.00	0.0010
343.15	90000.00	0.0010
343.15	100000.00	0.0010
343.15	110000.00	0.0010
343.15	120000.00	0.0010
343.15	130000.00	0.0010
343.15	140000.00	0.0010
353.15	100.00	0.0010
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[378.92; 547.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42077e+01
Coefficient B			-4.16371e+03
Coefficient C			-7.98020e+01
Temperature range, min.			378.92
Temperature range, max.			547.83
Pvap	1.33	kPa	378.92	Calculated Property
Pvap	3.03	kPa	397.69	Calculated Property
Pvap	6.30	kPa	416.46	Calculated Property
Pvap	12.10	kPa	435.22	Calculated Property
Pvap	21.77	kPa	453.99	Calculated Property
Pvap	37.04	kPa	472.76	Calculated Property
Pvap	60.03	kPa	491.53	Calculated Property
Pvap	93.30	kPa	510.29	Calculated Property
Pvap	139.74	kPa	529.06	Calculated Property
Pvap	202.65	kPa	547.83	Calculated Property
Pvap	[0.02; 3365.09]	kPa	[307.73; 761.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.20141e+02
Coefficient B			-1.17450e+04
Coefficient C			-1.51199e+01
Coefficient D			6.43805e-06
Temperature range, min.			307.73
Temperature range, max.			761.00
Pvap	0.02	kPa	307.73	Calculated Property
Pvap	0.47	kPa	358.09	Calculated Property
Pvap	4.73	kPa	408.46	Calculated Property
Pvap	25.37	kPa	458.82	Calculated Property
Pvap	90.45	kPa	509.18	Calculated Property
Pvap	245.03	kPa	559.55	Calculated Property
Pvap	550.45	kPa	609.91	Calculated Property
Pvap	1087.67	kPa	660.27	Calculated Property
Pvap	1969.51	kPa	710.64	Calculated Property
Pvap	3365.09	kPa	761.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2-methyl-.

Mixtures

• Naphthalene, 2-methyl- + Indole
• Naphthalene, 2-methyl- + Indole + Formamide
• Naphthalene, 2-methyl- + 1,2-Ethanediol + Indole
• Naphthalene, 2-methyl- + Monoethanolamine + Indole
• Naphthalene, 2-methyl- + Naphthalene, 2,7-dimethyl-
• Naphthalene, 2-methyl- + Naphthalene, 2,6-dimethyl-
• Naphthalene, 2-methyl- + Naphthalene, 1,5-dimethyl-
• Naphthalene, 2-methyl- + Water
• Naphthalene, 2-methyl- + 1,2-Ethanediol
• Naphthalene, 2-methyl- + Ethanol
• Naphthalene, 2-methyl- + Acetone
• Naphthalene, 2-methyl- + 1,4-Dioxane
• Naphthalene, 2-methyl- + Isopropyl Alcohol
• Naphthalene, 2-methyl- + Acetic acid, butyl ester
• Naphthalene, 2-methyl- + 1-Butanol
• Naphthalene, 2-methyl- + Heptane
• Naphthalene, 2-methyl- + n-Hexane

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• PVT Relationships of Binary Mixtures of Indole with 2-Methylnaphthalene and Biphenyl at 333.15 K and Pressures up to 270 MPa
• Critical properties of some alkylnaphthalenes
• Liquid-liquid phase equilibrium for ternary mixtures of formamide (or ethylene glycol, or monoethanolamine) + indole + 2-methylnaphthalene at 308.15 K
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Solubility Determination and Thermodynamic Models for 2-Methylnaphthalene in Different Solvents from T = (278.15 to 303.15) K
• Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.