Chemical Properties of Heptane, 2,2,3,3,5,6,6-heptamethyl- (CAS 7225-67-4)

InChI

InChI=1S/C14H30/c1-11(12(2,3)4)10-14(8,9)13(5,6)7/h11H,10H2,1-9H3

InChI Key

OTNCYIBPUVFLLZ-UHFFFAOYSA-N

Formula

C14H30

SMILES

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

Molecular Weight¹

198.39

CAS

7225-67-4

Other Names

• 2,2,3,3,5,6,6-Heptamethylheptane

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.78; 746.54]	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			-8.49390e+01
Coefficient B			1.71728e+00
Coefficient C			-1.25640e-03
Coefficient D			3.70600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.78	J/mol×K	273.00	Calculated Property
Cp,gas	381.76	J/mol×K	353.78	Calculated Property
Cp,gas	454.47	J/mol×K	434.56	Calculated Property
Cp,gas	517.09	J/mol×K	515.33	Calculated Property
Cp,gas	570.79	J/mol×K	596.11	Calculated Property
Cp,gas	616.75	J/mol×K	676.89	Calculated Property
Cp,gas	656.13	J/mol×K	757.67	Calculated Property
Cp,gas	690.11	J/mol×K	838.44	Calculated Property
Cp,gas	719.85	J/mol×K	919.22	Calculated Property
Cp,gas	746.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0297494; 0.0001822]	Pa×s	[239.80; 491.07]	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			-1.34737e+01
Coefficient B			2.38812e+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.			239.80
Temperature range, max.			491.07
η	0.0297494	Pa×s	239.80	Calculated Property
η	0.0105304	Pa×s	267.72	Calculated Property
η	0.0045352	Pa×s	295.64	Calculated Property
η	0.0022589	Pa×s	323.56	Calculated Property
η	0.0012568	Pa×s	351.48	Calculated Property
η	0.0007623	Pa×s	379.39	Calculated Property
η	0.0004952	Pa×s	407.31	Calculated Property
η	0.0003399	Pa×s	435.23	Calculated Property
η	0.0002442	Pa×s	463.15	Calculated Property
η	0.0001822	Pa×s	491.07	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 2,2,3,3,5,6,6-heptamethyl-.

Sources

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

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