Chemical Properties of 1-Methyldecahydronaphthalene (CAS 2958-75-0)

InChI

InChI=1S/C11H20/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9-11H,2-8H2,1H3

InChI Key

NHCREQREVZBOCH-UHFFFAOYSA-N

Formula

C11H20

SMILES

CC1CCCC2CCCCC12

Molecular Weight¹

152.28

CAS

2958-75-0

Other Names

• 1-Methyldecalin
• 1-Methyldecalin, isomer 1
• 1-Methyldecalin, isomer 2
• 1-Methyldecalin, isomer 3
• 1-Methyldecalin, isomer 4
• Decahydro-1-methylnaphthalene
• «alpha»-Methyldecalin

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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	0.2810		Relay (1.0) Calculated Property
ΔcH°liquid	-6850.66	kJ/mol	NIST
ΔfG°	107.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.19	kJ/mol	Joback Calculated Property
ΔvapH°	53.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-5.40		Relay (1.0) Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	144.130	ml/mol	McGowan Calculated Property
Pc	2637.96	kPa	Joback Calculated Property
Inp	[1134.00; 1196.00]
Inp	1159.00		NIST
Inp	1159.00		NIST
Inp	1178.00		NIST
Inp	Outlier 1134.00		NIST
Inp	1147.00		NIST
Inp	1159.00		NIST
Inp	1163.00		NIST
Inp	1176.00		NIST
Inp	1190.00		NIST
Inp	1168.00		NIST
Inp	1182.00		NIST
Inp	1196.00		NIST
Inp	1174.00		NIST
Inp	1188.00		NIST
Tboil	478.00 ± 4.00	K	NIST
Tc	709.84	K	Relay (1.0) Calculated Property
Tfus	212.73	K	Relay (1.0) Calculated Property
Vc	0.507	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[253.10; 343.60]	J/mol×K	[310.00; 420.00]
Cp,liquid	267.00	J/mol×K	310.00	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
Cp,liquid	253.10	J/mol×K	311.00	NIST
Cp,liquid	269.00	J/mol×K	311.00	NIST
Cp,liquid	266.50	J/mol×K	313.00	NIST
Cp,liquid	258.60	J/mol×K	313.00	NIST
Cp,liquid	274.00	J/mol×K	320.00	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
Cp,liquid	281.00	J/mol×K	330.00	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
Cp,liquid	287.90	J/mol×K	340.00	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
Cp,liquid	294.90	J/mol×K	350.00	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
Cp,liquid	301.80	J/mol×K	360.00	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
Cp,liquid	308.80	J/mol×K	370.00	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
Cp,liquid	315.70	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
Cp,liquid	322.70	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
Cp,liquid	329.60	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
Cp,liquid	336.60	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
Cp,liquid	343.60	J/mol×K	420.00	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.65; 560.08]	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			-1.22140e+02
Coefficient B			1.28572e+00
Coefficient C			-7.74000e-04
Coefficient D			1.70500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.65	J/mol×K	273.00	Calculated Property
Cp,gas	243.40	J/mol×K	353.78	Calculated Property
Cp,gas	304.41	J/mol×K	434.56	Calculated Property
Cp,gas	358.22	J/mol×K	515.33	Calculated Property
Cp,gas	405.37	J/mol×K	596.11	Calculated Property
Cp,gas	446.40	J/mol×K	676.89	Calculated Property
Cp,gas	481.84	J/mol×K	757.67	Calculated Property
Cp,gas	512.25	J/mol×K	838.44	Calculated Property
Cp,gas	538.15	J/mol×K	919.22	Calculated Property
Cp,gas	560.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031852; 0.0003943]	Pa×s	[231.29; 486.97]	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			-9.72827e+00
Coefficient B			9.20310e+02
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.			231.29
Temperature range, max.			486.97
η	0.0031852	Pa×s	231.29	Calculated Property
η	0.0020611	Pa×s	259.70	Calculated Property
η	0.0014532	Pa×s	288.11	Calculated Property
η	0.0010910	Pa×s	316.52	Calculated Property
η	0.0008587	Pa×s	344.93	Calculated Property
η	0.0007009	Pa×s	373.34	Calculated Property
η	0.0005888	Pa×s	401.75	Calculated Property
η	0.0005061	Pa×s	430.16	Calculated Property
η	0.0004433	Pa×s	458.56	Calculated Property
η	0.0003943	Pa×s	486.97	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyldecahydronaphthalene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• 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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