Chemical Properties of Naphthalene, 2,3-dimethyl- (CAS 581-40-8)

InChI

InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3

InChI Key

WWGUMAYGTYQSGA-UHFFFAOYSA-N

Formula

C12H12

SMILES

Cc1cc2ccccc2cc1C

Molecular Weight¹

156.22

CAS

581-40-8

Other Names

• 2,3-dimethylnaphthalene
• Guajen

• 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,solid : Solid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4430		KDB
ΔcH°solid	[-6434.78; -6431.00]	kJ/mol
ΔcH°solid	-6431.00 ± 1.10	kJ/mol	NIST
ΔcH°solid	-6434.78 ± 0.88	kJ/mol	NIST
EA	0.17 ± 0.13	eV	NIST
ΔfG°	249.96	kJ/mol	Joback Calculated Property
ΔfH°gas	[76.10; 79.90]	kJ/mol
ΔfH°gas	76.10 ± 2.00	kJ/mol	NIST
ΔfH°gas	79.90	kJ/mol	NIST
ΔfH°solid	[-6.10; -2.30]	kJ/mol
ΔfH°solid	-6.10 ± 1.90	kJ/mol	NIST
ΔfH°solid	-2.30 ± 1.10	kJ/mol	NIST
ΔfusH°	23.97	kJ/mol	Solid-Liquid Equilibria of Binary Mixtures of Dimethylnaphthalene Isomers
ΔsubH°	[82.20; 82.20]	kJ/mol
ΔsubH°	82.20 ± 0.40	kJ/mol	NIST
ΔsubH°	82.20	kJ/mol	NIST
ΔvapH°	64.95	kJ/mol	Relay (1.0) Calculated Property
IE	[7.89; 8.20]	eV
IE	8.11	eV	NIST
IE	8.20 ± 0.05	eV	NIST
IE	7.89 ± 0.03	eV	NIST
log10WS	[-4.72; -4.72]
log10WS	-4.72		Aq. Solubility Prediction
log10WS	-4.72		Estimated Solubility
logPoct/wat	3.457		Crippen Calculated Property
McVol	136.720	ml/mol	McGowan Calculated Property
Pc	3010.00	kPa	KDB
Inp	[239.00; 1447.00]
Inp	1408.20		NIST
Inp	1433.00		NIST
Inp	1433.00		NIST
Inp	1434.00		NIST
Inp	1442.30		NIST
Inp	1395.00		NIST
Inp	1419.00		NIST
Inp	1433.00		NIST
Inp	1427.30		NIST
Inp	1441.70		NIST
Inp	1420.00		NIST
Inp	1399.00		NIST
Inp	1438.00		NIST
Inp	1410.00		NIST
Inp	1446.00		NIST
Inp	1410.00		NIST
Inp	1435.00		NIST
Inp	1438.00		NIST
Inp	1427.00		NIST
Inp	1400.00		NIST
Inp	1408.00		NIST
Inp	1400.00		NIST
Inp	1430.00		NIST
Inp	1444.00		NIST
Inp	1443.00		NIST
Inp	1418.00		NIST
Inp	1442.00		NIST
Inp	1419.60		NIST
Inp	1446.00		NIST
Inp	1447.00		NIST
Inp	1420.00		NIST
Inp	246.51		NIST
Inp	243.55		NIST
Inp	247.04		NIST
Inp	246.42		NIST
Inp	245.70		NIST
Inp	246.73		NIST
Inp	246.20		NIST
Inp	246.29		NIST
Inp	247.04		NIST
Inp	239.00		NIST
Inp	246.03		NIST
Inp	243.55		NIST
Inp	244.50		NIST
Inp	246.50		NIST
Inp	243.60		NIST
Inp	247.02		NIST
Inp	246.30		NIST
Inp	242.64		NIST
Inp	243.55		NIST
Inp	1435.00		NIST
Inp	1427.00		NIST
Inp	1444.00		NIST
Inp	244.50		NIST
Inp	242.64		NIST
Inp	246.51		NIST
Inp	246.73		NIST
Inp	246.03		NIST
Inp	1410.00		NIST
Inp	1442.00		NIST
Inp	1408.20		NIST
Inp	1395.00		NIST
Inp	1420.00		NIST
I	[2008.00; 2009.00]
I	2008.00		NIST
I	2008.00		NIST
I	2009.00		NIST
I	2008.00		NIST
S°solid,1 bar	225.85	J/mol×K	NIST
Tboil	[541.00; 542.40]	K
Tboil	541.20	K	KDB
Tboil	541.15 ± 0.60	K	NIST
Tboil	542.40 ± 1.50	K	NIST
Tboil	541.00 ± 5.00	K	NIST
Tc	777.80	K	KDB
Tfus	[376.15; 378.40]	K
Tfus	378.00	K	KDB
Tfus	378.00 ± 2.00	K	NIST
Tfus	378.40 ± 0.30	K	NIST
Tfus	376.15 ± 0.60	K	NIST
Ttriple	[377.49; 377.49]	K
Ttriple	377.49 ± 0.01	K	NIST
Ttriple	377.49 ± 0.01	K	NIST
Vc	0.521	m3/kmol	KDB
Zc	0.2427260		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[296.31; 371.48]	J/mol×K	[529.58; 761.14]
Cp,gas	296.31	J/mol×K	529.58	Joback Calculated Property
Cp,gas	311.16	J/mol×K	568.17	Joback Calculated Property
Cp,gas	325.00	J/mol×K	606.77	Joback Calculated Property
Cp,gas	337.89	J/mol×K	645.36	Joback Calculated Property
Cp,gas	349.89	J/mol×K	683.95	Joback Calculated Property
Cp,gas	361.06	J/mol×K	722.55	Joback Calculated Property
Cp,gas	371.48	J/mol×K	761.14	Joback Calculated Property
Cp,solid	[215.00; 216.47]	J/mol×K	[298.00; 298.15]
Cp,solid	215.00	J/mol×K	298.00	NIST
Cp,solid	216.47	J/mol×K	298.15	NIST
Csat	[295.40; 308.90]	J/mol×K	[380.00; 410.00]
Csat	295.40	J/mol×K	380.00	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
Csat	299.90	J/mol×K	390.00	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
Csat	304.40	J/mol×K	400.00	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
Csat	308.90	J/mol×K	410.00	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
η	[0.0002960; 0.0012561]	Pa×s	[309.16; 529.58]
η	0.0012561	Pa×s	309.16	Joback Calculated Property
η	0.0008686	Pa×s	345.90	Joback Calculated Property
η	0.0006448	Pa×s	382.63	Joback Calculated Property
η	0.0005043	Pa×s	419.37	Joback Calculated Property
η	0.0004103	Pa×s	456.11	Joback Calculated Property
η	0.0003443	Pa×s	492.84	Joback Calculated Property
η	0.0002960	Pa×s	529.58	Joback Calculated Property
ΔfusH	[15.90; 23.97]	kJ/mol	[377.20; 378.00]
ΔfusH	23.97	kJ/mol	377.20	NIST
ΔfusH	15.90	kJ/mol	378.00	NIST
ΔfusH	15.90	kJ/mol	378.00	NIST
ΔsubH	[61.10; 82.80]	kJ/mol	[289.50; 378.30]
ΔsubH	79.90 ± 0.40	kJ/mol	289.50	NIST
ΔsubH	82.20 ± 0.40	kJ/mol	293.50	NIST
ΔsubH	82.80	kJ/mol	353.00	NIST
ΔsubH	61.10 ± 0.10	kJ/mol	377.70	NIST
ΔsubH	61.10 ± 0.10	kJ/mol	377.70	NIST
ΔsubH	79.90 ± 0.30	kJ/mol	378.30	NIST
ΔvapH	[60.00; 60.90]	kJ/mol	[380.00; 393.00]
ΔvapH	60.90 ± 0.70	kJ/mol	380.00	NIST
ΔvapH	60.90 ± 0.70	kJ/mol	380.00	NIST
ΔvapH	60.00	kJ/mol	393.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.43; 202.64]	kPa	[378.16; 575.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46295e+01
Coefficient B			-4.62605e+03
Coefficient C			-7.90620e+01
Temperature range, min.			378.16
Temperature range, max.			575.52
Pvap	0.43	kPa	378.16	Calculated Property
Pvap	1.25	kPa	400.09	Calculated Property
Pvap	3.13	kPa	422.02	Calculated Property
Pvap	7.04	kPa	443.95	Calculated Property
Pvap	14.44	kPa	465.88	Calculated Property
Pvap	27.43	kPa	487.80	Calculated Property
Pvap	48.81	kPa	509.73	Calculated Property
Pvap	82.14	kPa	531.66	Calculated Property
Pvap	131.74	kPa	553.59	Calculated Property
Pvap	202.64	kPa	575.52	Calculated Property
Pvap	[0.46; 2991.75]	kPa	[378.15; 777.78]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.45876e+01
Coefficient B			-1.05543e+04
Coefficient C			-9.75616e+00
Coefficient D			3.18558e-06
Temperature range, min.			378.15
Temperature range, max.			777.78
Pvap	0.46	kPa	378.15	Calculated Property
Pvap	3.29	kPa	422.55	Calculated Property
Pvap	15.12	kPa	466.96	Calculated Property
Pvap	50.96	kPa	511.36	Calculated Property
Pvap	136.82	kPa	555.76	Calculated Property
Pvap	310.22	kPa	600.17	Calculated Property
Pvap	619.20	kPa	644.57	Calculated Property
Pvap	1121.48	kPa	688.97	Calculated Property
Pvap	1885.16	kPa	733.38	Calculated Property
Pvap	2991.75	kPa	777.78	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2,3-dimethyl-.

Mixtures

• Naphthalene, 2,6-dimethyl- + Naphthalene, 2,3-dimethyl-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• 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
• 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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