Chemical Properties of 2-C2H5-Hexane-d13

InChI

InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3/i1D3,3D3,4D2,6D2,7D2,8D

InChI Key

LAIUFBWHERIJIH-IVPOXXCHSA-N

Formula

C8H18

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(CC)C([2H])([2H])[2H]

Molecular Weight¹

127.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Inp	[763.71; 763.71]
Inp	763.71		NIST
Inp	763.71		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[174.88; 432.59]	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			-6.06600e+00
Coefficient B			7.69760e-01
Coefficient C			-4.14600e-04
Coefficient D			8.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.88	J/mol×K	273.00	Calculated Property
Cp,gas	218.06	J/mol×K	353.78	Calculated Property
Cp,gas	257.00	J/mol×K	434.56	Calculated Property
Cp,gas	291.94	J/mol×K	515.33	Calculated Property
Cp,gas	323.16	J/mol×K	596.11	Calculated Property
Cp,gas	350.91	J/mol×K	676.89	Calculated Property
Cp,gas	375.47	J/mol×K	757.67	Calculated Property
Cp,gas	397.09	J/mol×K	838.44	Calculated Property
Cp,gas	416.05	J/mol×K	919.22	Calculated Property
Cp,gas	432.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0117709; 0.0002593]	Pa×s	[164.92; 384.64]	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			-1.11214e+01
Coefficient B			1.10154e+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.			164.92
Temperature range, max.			384.64
η	0.0117709	Pa×s	164.92	Calculated Property
η	0.0049748	Pa×s	189.33	Calculated Property
η	0.0025597	Pa×s	213.75	Calculated Property
η	0.0015093	Pa×s	238.16	Calculated Property
η	0.0009817	Pa×s	262.57	Calculated Property
η	0.0006871	Pa×s	286.99	Calculated Property
η	0.0005085	Pa×s	311.40	Calculated Property
η	0.0003932	Pa×s	335.81	Calculated Property
η	0.0003148	Pa×s	360.22	Calculated Property
η	0.0002593	Pa×s	384.64	Calculated Property

Similar Compounds

Find more compounds similar to 2-C2H5-Hexane-d13.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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