Chemical Properties of Naphthalene, 1-methyl- (CAS 90-12-0)

InChI

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

InChI Key

QPUYECUOLPXSFR-UHFFFAOYSA-N

Formula

C11H10

SMILES

Cc1cccc2ccccc12

Molecular Weight¹

142.20

CAS

90-12-0

Other Names

• .alpha.-methylnaphthalene
• 1-Methylnaphthalene
• ALPHA-METHYLNAPHTHALENE
• Methyl-1-naphthalene
• «alpha»-Methylnaphthalene
• «alpha»-Methylnaphthalene

• 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).
• 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°_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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3100		KDB
PAff	[831.40; 834.80]	kJ/mol
PAff	834.80	kJ/mol	NIST
PAff	831.40	kJ/mol	NIST
BasG	[803.30; 805.30]	kJ/mol
BasG	805.30	kJ/mol	NIST
BasG	803.30	kJ/mol	NIST
ΔcH°liquid	[-5814.00; -5627.00]	kJ/mol
ΔcH°liquid	-5783.00 ± 5.80	kJ/mol	NIST
ΔcH°liquid	-5814.00 ± 1.70	kJ/mol	NIST
ΔcH°liquid	-5627.00	kJ/mol	NIST
μ	0.50	debye	KDB
EA	0.16 ± 0.12	eV	NIST
ΔfG°	217.80	kJ/mol	KDB
ΔfH°gas	[116.90; 116.90]	kJ/mol
ΔfH°gas	116.90	kJ/mol	KDB
ΔfH°gas	116.90 ± 2.70	kJ/mol	NIST
ΔfH°liquid	56.20 ± 1.70	kJ/mol	NIST
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔvapH°	[46.48; 65.10]	kJ/mol
ΔvapH°	65.10 ± 1.10	kJ/mol	NIST
ΔvapH°	60.10 ± 0.80	kJ/mol	NIST
ΔvapH°	62.40	kJ/mol	NIST
ΔvapH°	57.32 ± 0.42	kJ/mol	NIST
ΔvapH°	57.30 ± 0.40	kJ/mol	NIST
ΔvapH°	60.70 ± 2.10	kJ/mol	NIST
ΔvapH°	60.70	kJ/mol	NIST
ΔvapH°	Outlier 46.48	kJ/mol	NIST
IE	[7.80; 8.50]	eV
IE	7.96 ± 0.03	eV	NIST
IE	7.90 ± 0.02	eV	NIST
IE	Outlier 8.50 ± 0.05	eV	NIST
IE	7.98	eV	NIST
IE	7.80 ± 0.03	eV	NIST
IE	7.98	eV	NIST
IE	7.96 ± 0.01	eV	NIST
IE	8.01 ± 0.03	eV	NIST
IE	7.95	eV	NIST
log10WS	[-3.70; -3.70]
log10WS	-3.70		Aq. Sol...
log10WS	-3.70		Estimat...
logPoct/wat	3.148		Crippen Calculated Property
McVol	122.630	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
Pc	[3600.00; 4356.98]	kPa
Pc	3600.00	kPa	KDB
Pc	3600.00 ± 100.00	kPa	NIST
Pc	3600.00 ± 100.00	kPa	NIST
Pc	4356.98 ± 151.99	kPa	NIST
Inp	[218.90; 1330.12]
Inp	1330.12		NIST
Inp	1293.70		NIST
Inp	1318.00		NIST
Inp	1318.00		NIST
Inp	1318.00		NIST
Inp	1326.00		NIST
Inp	1277.00		NIST
Inp	1278.00		NIST
Inp	1306.00		NIST
Inp	1327.00		NIST
Inp	1326.00		NIST
Inp	1281.00		NIST
Inp	1303.00		NIST
Inp	1318.00		NIST
Inp	1268.00		NIST
Inp	1264.70		NIST
Inp	1267.90		NIST
Inp	1309.00		NIST
Inp	1302.00		NIST
Inp	1279.00		NIST
Inp	1294.00		NIST
Inp	1264.70		NIST
Inp	1267.90		NIST
Inp	1263.00		NIST
Inp	1268.00		NIST
Inp	1282.00		NIST
Inp	1295.00		NIST
Inp	1295.00		NIST
Inp	1298.00		NIST
Inp	1305.00		NIST
Inp	1297.80		NIST
Inp	1300.00		NIST
Inp	1289.60		NIST
Inp	1289.60		NIST
Inp	1299.10		NIST
Inp	1283.00		NIST
Inp	1306.80		NIST
Inp	1305.50		NIST
Inp	1297.10		NIST
Inp	1306.80		NIST
Inp	1313.40		NIST
Inp	1288.10		NIST
Inp	1297.10		NIST
Inp	1306.80		NIST
Inp	1313.40		NIST
Inp	1306.80		NIST
Inp	1305.50		NIST
Inp	1296.00		NIST
Inp	1285.68		NIST
Inp	1286.53		NIST
Inp	1287.00		NIST
Inp	1316.00		NIST
Inp	1272.66		NIST
Inp	1283.05		NIST
Inp	1289.57		NIST
Inp	1307.25		NIST
Inp	1319.04		NIST
Inp	1326.55		NIST
Inp	1282.00		NIST
Inp	1325.00		NIST
Inp	1307.00		NIST
Inp	1330.00		NIST
Inp	1293.00		NIST
Inp	1301.00		NIST
Inp	1286.00		NIST
Inp	1321.00		NIST
Inp	1323.00		NIST
Inp	1323.00		NIST
Inp	1326.00		NIST
Inp	1326.00		NIST
Inp	1309.00		NIST
Inp	1284.00		NIST
Inp	1294.00		NIST
Inp	1294.00		NIST
Inp	1294.00		NIST
Inp	1312.00		NIST
Inp	1299.00		NIST
Inp	1301.00		NIST
Inp	1289.00		NIST
Inp	1314.00		NIST
Inp	1315.00		NIST
Inp	1317.00		NIST
Inp	1317.00		NIST
Inp	1315.00		NIST
Inp	1325.00		NIST
Inp	1286.00		NIST
Inp	1312.40		NIST
Inp	1288.00		NIST
Inp	1328.00		NIST
Inp	1282.00		NIST
Inp	1290.00		NIST
Inp	1276.00		NIST
Inp	1276.00		NIST
Inp	1277.00		NIST
Inp	1272.00		NIST
Inp	1278.00		NIST
Inp	1284.00		NIST
Inp	1289.00		NIST
Inp	1269.00		NIST
Inp	1282.00		NIST
Inp	1308.00		NIST
Inp	1310.00		NIST
Inp	1306.00		NIST
Inp	1293.00		NIST
Inp	1321.00		NIST
Inp	1281.00		NIST
Inp	1301.70		NIST
Inp	1273.00		NIST
Inp	1316.00		NIST
Inp	1317.00		NIST
Inp	1271.00		NIST
Inp	1282.00		NIST
Inp	1268.00		NIST
Inp	1288.00		NIST
Inp	223.91		NIST
Inp	224.60		NIST
Inp	221.80		NIST
Inp	221.04		NIST
Inp	223.10		NIST
Inp	223.01		NIST
Inp	223.01		NIST
Inp	224.42		NIST
Inp	224.16		NIST
Inp	224.02		NIST
Inp	223.78		NIST
Inp	223.21		NIST
Inp	222.08		NIST
Inp	223.83		NIST
Inp	223.98		NIST
Inp	223.50		NIST
Inp	224.13		NIST
Inp	220.05		NIST
Inp	223.42		NIST
Inp	224.53		NIST
Inp	219.83		NIST
Inp	218.90		NIST
Inp	219.10		NIST
Inp	223.01		NIST
Inp	221.04		NIST
Inp	224.80		NIST
Inp	224.12		NIST
Inp	223.42		NIST
Inp	224.12		NIST
Inp	224.40		NIST
Inp	219.93		NIST
Inp	220.10		NIST
Inp	221.00		NIST
Inp	223.10		NIST
Inp	223.10		NIST
Inp	224.31		NIST
Inp	221.04		NIST
Inp	221.04		NIST
Inp	223.06		NIST
Inp	224.80		NIST
Inp	223.00		NIST
Inp	223.20		NIST
Inp	221.04		NIST
Inp	1263.00		NIST
Inp	1298.00		NIST
Inp	1269.00		NIST
Inp	1293.00		NIST
Inp	1316.00		NIST
Inp	1288.00		NIST
I	[1844.00; 1915.00]
I	1894.00		NIST
I	1915.00		NIST
I	1895.00		NIST
I	1891.00		NIST
I	1896.00		NIST
I	1875.00		NIST
I	1878.00		NIST
I	1903.00		NIST
I	1905.00		NIST
I	1898.00		NIST
I	1908.00		NIST
I	1844.00		NIST
I	1878.00		NIST
I	1878.00		NIST
I	1893.00		NIST
I	1860.00		NIST
I	1884.00		NIST
I	1880.00		NIST
I	1884.00		NIST
I	1884.00		NIST
I	1855.00		NIST
I	1855.00		NIST
I	1850.00		NIST
I	1908.00		NIST
I	1860.00		NIST
I	1855.00		NIST
I	1894.00		NIST
I	1875.00		NIST
S°liquid	254.81	J/mol×K	NIST
Tboil	[517.70; 517.89]	K
Tboil	517.89	K	KDB
Tboil	517.70	K	Critica...
Tc	[273.15; 784.00]	K
Tc	772.00	K	KDB
Tc	772.00 ± 1.00	K	NIST
Tc	772.00 ± 1.00	K	NIST
Tc	772.00 ± 1.50	K	NIST
Tc	Outlier 273.15 ± 2.72	K	NIST
Tc	784.00 ± 2.00	K	NIST
Tfus	[242.20; 263.05]	K
Tfus	242.67	K	KDB
Tfus	263.05	K	Aq. Sol...
Tfus	242.20	K	Solid-L...
Ttriple	[242.66; 242.70]	K
Ttriple	242.70	K	KDB
Ttriple	242.66 ± 0.05	K	NIST
Ttriple	242.66 ± 0.03	K	NIST
Ttriple	242.69 ± 0.02	K	NIST
Ttriple	242.70 ± 0.03	K	NIST
Vc	0.466	m3/kmol	Joback Calculated Property

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	224.39	J/mol×K	298.15	NIST
ΔfusH	[4.98; 6.95]	kJ/mol	[240.70; 242.70]
ΔfusH	4.98	kJ/mol	240.70	NIST
ΔfusH	6.95	kJ/mol	242.70	NIST
ΔfusH	6.95	kJ/mol	242.70	NIST
ΔvapH	[45.90; 63.30]	kJ/mol	[295.50; 540.00]
ΔvapH	57.50	kJ/mol	295.50	NIST
ΔvapH	63.30	kJ/mol	323.50	NIST
ΔvapH	52.30	kJ/mol	470.50	NIST
ΔvapH	45.90	kJ/mol	480.00	NIST
ΔvapH	49.60	kJ/mol	480.00	NIST
ΔvapH	46.02	kJ/mol	517.80	KDB
ΔvapH	50.00	kJ/mol	540.00	NIST
ρl	1020.00	kg/m3	293.00	KDB
ΔfusS	[20.69; 28.62]	J/mol×K	[240.70; 242.70]
ΔfusS	20.69	J/mol×K	240.70	NIST
ΔfusS	28.62	J/mol×K	242.70	NIST
γ	0.04	N/m	298.20	KDB

Datasets

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
298.15	100.00	0.0029
298.15	20500.00	0.0036
298.15	40100.00	0.0044
298.15	80200.00	0.0067
298.15	81400.00	0.0068
298.15	100100.00	0.0083
298.15	121300.00	0.0103
298.15	140800.00	0.0127
298.15	161500.00	0.0160
298.15	100.00	0.0029
298.15	121300.00	0.0103
323.15	100.00	0.0017
323.15	39600.00	0.0025
323.15	79600.00	0.0035
323.15	80400.00	0.0035
323.15	120800.00	0.0050
323.15	123300.00	0.0051
323.15	160500.00	0.0070
323.15	193000.00	0.0092
323.15	100.00	0.0017
348.15	100.00	0.0012
348.15	40800.00	0.0017
348.15	78900.00	0.0022
348.15	79300.00	0.0022
348.15	121400.00	0.0030
348.15	121900.00	0.0031
348.15	162200.00	0.0040
348.15	189900.00	0.0049
348.15	100.00	0.0012
373.15	100.00	0.0009
373.15	41500.00	0.0012
373.15	79800.00	0.0016
373.15	80100.00	0.0016
373.15	120300.00	0.0021
373.15	121700.00	0.0021
373.15	159700.00	0.0026
373.15	189500.00	0.0031
373.15	100.00	0.0009
398.15	100.00	0.0007
398.15	40500.00	0.0009
398.15	79700.00	0.0012
398.15	82700.00	0.0012
398.15	120500.00	0.0015
398.15	160500.00	0.0019
398.15	162900.00	0.0019
398.15	202400.00	0.0024
398.15	100.00	0.0007
423.15	100.00	0.0005
423.15	40500.00	0.0007
423.15	81000.00	0.0009
423.15	81900.00	0.0009
423.15	120500.00	0.0012
423.15	160000.00	0.0014
423.15	161000.00	0.0015
423.15	199700.00	0.0018
423.15	100.00	0.0005
448.15	100.00	0.0004
448.15	40200.00	0.0006
448.15	80100.00	0.0008
448.15	81800.00	0.0008
448.15	120700.00	0.0010
448.15	160100.00	0.0012
448.15	160800.00	0.0012
448.15	200800.00	0.0014
448.15	100.00	0.0004
473.15	100.00	0.0004
473.15	40600.00	0.0005
473.15	81000.00	0.0006
473.15	81500.00	0.0006
473.15	121600.00	0.0008
473.15	160800.00	0.0010
473.15	160900.00	0.0010
473.15	200200.00	0.0012
473.15	100.00	0.0004
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[379.23; 548.07]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49352e+01
Coefficient B			-4.73755e+03
Coefficient C			-5.57940e+01
Temperature range, min.			379.23
Temperature range, max.			548.07
Pvap	1.33	kPa	379.23	Calculated Property
Pvap	2.98	kPa	397.99	Calculated Property
Pvap	6.11	kPa	416.75	Calculated Property
Pvap	11.69	kPa	435.51	Calculated Property
Pvap	21.03	kPa	454.27	Calculated Property
Pvap	35.89	kPa	473.03	Calculated Property
Pvap	58.51	kPa	491.79	Calculated Property
Pvap	91.60	kPa	510.55	Calculated Property
Pvap	138.40	kPa	529.31	Calculated Property
Pvap	202.63	kPa	548.07	Calculated Property
Pvap	[3.42e-05; 3588.64]	kPa	[242.67; 772.04]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.09337e+01
Coefficient B			-9.29434e+03
Coefficient C			-7.84021e+00
Coefficient D			2.38298e-06
Temperature range, min.			242.67
Temperature range, max.			772.04
Pvap	3.42e-05	kPa	242.67	Calculated Property
Pvap	0.01	kPa	301.49	Calculated Property
Pvap	0.49	kPa	360.31	Calculated Property
Pvap	6.27	kPa	419.13	Calculated Property
Pvap	38.92	kPa	477.95	Calculated Property
Pvap	152.12	kPa	536.76	Calculated Property
Pvap	436.24	kPa	595.58	Calculated Property
Pvap	1009.93	kPa	654.40	Calculated Property
Pvap	2009.86	kPa	713.22	Calculated Property
Pvap	3588.64	kPa	772.04	Calculated Property

Similar Compounds

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

Mixtures

• Naphthalene, 1-methyl- + Naphthalene, 2,6-dimethyl-
• Naphthalene, 1-methyl- + Naphthalene, 1,5-dimethyl-
• Naphthalene, 1-methyl- + Naphthalene, 2,7-dimethyl-
• Naphthalene, 1-methyl- + Hexatriacontane
• Naphthalene, 1-methyl- + Carbon disulfide + Hexatriacontane
• Naphthalene, 1-methyl- + Hexatriacontane + Naphthalene, decahydro-
• Naphthalene, 1-methyl- + Water
• Naphthalene, 1-methyl- + p-Xylene + Water

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Experimental solubility data of various n-alkane waxes: effects of alkane chain length, alkane odd versus even carbon number structures, and solvent chemistry on solubility
• Critical properties of some alkylnaphthalenes
• Phase equilibria for the [{water + 1-methylnaphthalene + p-xylene}] system at T = (573, 623 and 653) K
• Viscosity of Liquid Di-isodecyl Phthalate at Temperatures Between (274 and 373) K and at Pressures up to 140 MPa
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
• Viscosity and Density of Five Hydrocarbon Liquids at Pressures up to 200 MPa and Temperatures up to 473 K
• 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.