Chemical Properties of Octane-1,2,3,4,5,6-d13

InChI

InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,3D2,5D2,6D2,7D2,8D2

InChI Key

TVMXDCGIABBOFY-SMTKFEHLSA-N

Formula

C8H18

SMILES

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

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°	16.48	kJ/mol	Joback Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Inp	[790.86; 790.86]
Inp	790.86		NIST
Inp	790.86		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	[175.19; 432.06]	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			-4.38400e+00
Coefficient B			7.63840e-01
Coefficient C			-4.11400e-04
Coefficient D			8.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.19	J/mol×K	273.00	Calculated Property
Cp,gas	218.07	J/mol×K	353.78	Calculated Property
Cp,gas	256.75	J/mol×K	434.56	Calculated Property
Cp,gas	291.49	J/mol×K	515.33	Calculated Property
Cp,gas	322.55	J/mol×K	596.11	Calculated Property
Cp,gas	350.21	J/mol×K	676.89	Calculated Property
Cp,gas	374.72	J/mol×K	757.67	Calculated Property
Cp,gas	396.35	J/mol×K	838.44	Calculated Property
Cp,gas	415.38	J/mol×K	919.22	Calculated Property
Cp,gas	432.06	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0062500; 0.0002733]	Pa×s	[179.92; 382.32]	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			-1.09874e+01
Coefficient B			1.06372e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			179.92
Temperature range, max.			382.32
η	0.0062500	Pa×s	179.92	Calculated Property
η	0.0032404	Pa×s	202.41	Calculated Property
η	0.0019159	Pa×s	224.90	Calculated Property
η	0.0012464	Pa×s	247.39	Calculated Property
η	0.0008710	Pa×s	269.87	Calculated Property
η	0.0006432	Pa×s	292.36	Calculated Property
η	0.0004960	Pa×s	314.85	Calculated Property
η	0.0003960	Pa×s	337.34	Calculated Property
η	0.0003252	Pa×s	359.83	Calculated Property
η	0.0002733	Pa×s	382.32	Calculated Property

Similar Compounds

Find more compounds similar to Octane-1,2,3,4,5,6-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

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.
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