Chemical Properties of HEPTANE, 5-ETHYL-2,2,3-TRIMETHYL-

InChI

InChI=1S/C12H26/c1-7-11(8-2)9-10(3)12(4,5)6/h10-11H,7-9H2,1-6H3

InChI Key

OOIGDPTZPWRGHN-UHFFFAOYSA-N

Formula

C12H26

SMILES

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

Molecular Weight¹

170.34

• 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	[257.96; 640.96]	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			-3.58570e+01
Coefficient B			1.28152e+00
Coefficient C			-8.07200e-04
Coefficient D			2.02500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.96	J/mol×K	273.00	Calculated Property
Cp,gas	325.45	J/mol×K	353.78	Calculated Property
Cp,gas	385.22	J/mol×K	434.56	Calculated Property
Cp,gas	437.90	J/mol×K	515.33	Calculated Property
Cp,gas	484.13	J/mol×K	596.11	Calculated Property
Cp,gas	524.55	J/mol×K	676.89	Calculated Property
Cp,gas	559.80	J/mol×K	757.67	Calculated Property
Cp,gas	590.53	J/mol×K	838.44	Calculated Property
Cp,gas	617.37	J/mol×K	919.22	Calculated Property
Cp,gas	640.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0334827; 0.0002205]	Pa×s	[197.42; 453.35]	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			-1.22942e+01
Coefficient B			1.75654e+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.			197.42
Temperature range, max.			453.35
η	0.0334827	Pa×s	197.42	Calculated Property
η	0.0109220	Pa×s	225.86	Calculated Property
η	0.0045772	Pa×s	254.29	Calculated Property
η	0.0022849	Pa×s	282.73	Calculated Property
η	0.0012951	Pa×s	311.17	Calculated Property
η	0.0008072	Pa×s	339.60	Calculated Property
η	0.0005413	Pa×s	368.04	Calculated Property
η	0.0003844	Pa×s	396.48	Calculated Property
η	0.0002858	Pa×s	424.91	Calculated Property
η	0.0002205	Pa×s	453.35	Calculated Property

Similar Compounds

Find more compounds similar to HEPTANE, 5-ETHYL-2,2,3-TRIMETHYL-.

Sources

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

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