Chemical Properties of 2,2,7,7-Tetramethyloctane (CAS 1071-31-4)

InChI

InChI=1S/C12H26/c1-11(2,3)9-7-8-10-12(4,5)6/h7-10H2,1-6H3

InChI Key

QZUFNKONEPLWBC-UHFFFAOYSA-N

Formula

C12H26

SMILES

CC(C)(C)CCCCC(C)(C)C

Molecular Weight¹

170.33

CAS

1071-31-4

• ω : Acentric Factor.
• 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_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).
• P_vap : Vapor 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	0.4517		Relay (1.0) Calculated Property
ΔfG°	55.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-322.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.01	kJ/mol	Joback Calculated Property
ΔvapH°	52.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-6.38		Relay (1.0) Calculated Property
logPoct/wat	4.639		Crippen Calculated Property
McVol	179.940	ml/mol	McGowan Calculated Property
Pc	1838.84	kPa	Joback Calculated Property
Inp	[1013.00; 1039.50]
Inp	1013.00		NIST
Inp	1038.54		NIST
Inp	1039.44		NIST
Inp	1039.50		NIST
Inp	1035.93		NIST
Inp	1036.70		NIST
Inp	1036.75		NIST
Inp	1013.00		NIST
Inp	1036.70		NIST
Tboil	[459.00; 461.00]	K
Tboil	459.00 ± 3.00	K	NIST
Tboil	461.00 ± 8.00	K	NIST
Tc	635.87	K	Relay (1.0) Calculated Property
Tfus	319.00 ± 3.00	K	NIST
Vc	0.694	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.13; 641.35]	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			-5.69660e+01
Coefficient B			1.39552e+00
Coefficient C			-9.72600e-04
Coefficient D			2.75400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.13	J/mol×K	273.00	Calculated Property
Cp,gas	327.20	J/mol×K	353.78	Calculated Property
Cp,gas	388.40	J/mol×K	434.56	Calculated Property
Cp,gas	441.59	J/mol×K	515.33	Calculated Property
Cp,gas	487.64	J/mol×K	596.11	Calculated Property
Cp,gas	527.43	J/mol×K	676.89	Calculated Property
Cp,gas	561.83	J/mol×K	757.67	Calculated Property
Cp,gas	591.70	J/mol×K	838.44	Calculated Property
Cp,gas	617.92	J/mol×K	919.22	Calculated Property
Cp,gas	641.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014490; 0.0002420]	Pa×s	[319.00; 453.83]	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			-1.25602e+01
Coefficient B			1.92144e+03
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.			319.00
Temperature range, max.			453.83
η	0.0014490	Pa×s	319.00	Calculated Property
η	0.0011059	Pa×s	333.98	Calculated Property
η	0.0008639	Pa×s	348.96	Calculated Property
η	0.0006887	Pa×s	363.94	Calculated Property
η	0.0005589	Pa×s	378.93	Calculated Property
η	0.0004609	Pa×s	393.91	Calculated Property
η	0.0003855	Pa×s	408.89	Calculated Property
η	0.0003265	Pa×s	423.87	Calculated Property
η	0.0002797	Pa×s	438.85	Calculated Property
η	0.0002420	Pa×s	453.83	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[338.15; 489.10]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35260e+01
Coefficient B			-3.26765e+03
Coefficient C			-9.13150e+01
Temperature range, min.			338.15
Temperature range, max.			489.10
Pvap	1.33	kPa	338.15	Calculated Property
Pvap	3.10	kPa	354.92	Calculated Property
Pvap	6.50	kPa	371.69	Calculated Property
Pvap	12.55	kPa	388.47	Calculated Property
Pvap	22.58	kPa	405.24	Calculated Property
Pvap	38.28	kPa	422.01	Calculated Property
Pvap	61.67	kPa	438.78	Calculated Property
Pvap	95.09	kPa	455.56	Calculated Property
Pvap	141.14	kPa	472.33	Calculated Property
Pvap	202.63	kPa	489.10	Calculated Property

Similar Compounds

Find more compounds similar to 2,2,7,7-Tetramethyloctane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.