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

• 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).
• 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
ΔfG°	55.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-308.51	kJ/mol	Joback Calculated Property
ΔfusH°	12.01	kJ/mol	Joback Calculated Property
ΔvapH°	39.71	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen 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	648.06	K	Joback Calculated Property
Tfus	319.00 ± 3.00	K	NIST
Vc	0.685	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[411.01; 513.90]	J/mol×K	[467.50; 648.06]
Cp,gas	411.01	J/mol×K	467.50	Joback Calculated Property
Cp,gas	430.55	J/mol×K	497.59	Joback Calculated Property
Cp,gas	449.07	J/mol×K	527.69	Joback Calculated Property
Cp,gas	466.62	J/mol×K	557.78	Joback Calculated Property
Cp,gas	483.25	J/mol×K	587.87	Joback Calculated Property
Cp,gas	498.99	J/mol×K	617.96	Joback Calculated Property
Cp,gas	513.90	J/mol×K	648.06	Joback Calculated Property
η	[0.0002139; 0.0149911]	Pa×s	[229.84; 467.50]
η	0.0149911	Pa×s	229.84	Joback Calculated Property
η	0.0043865	Pa×s	269.45	Joback Calculated Property
η	0.0017587	Pa×s	309.06	Joback Calculated Property
η	0.0008679	Pa×s	348.67	Joback Calculated Property
η	0.0004947	Pa×s	388.28	Joback Calculated Property
η	0.0003129	Pa×s	427.89	Joback Calculated Property
η	0.0002139	Pa×s	467.50	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[338.15; 489.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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