Chemical Properties of Octane-1,2-d5

InChI

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

InChI Key

TVMXDCGIABBOFY-WNWXXORZSA-N

Formula

C8H18

SMILES

[2H]C([2H])([2H])C([2H])([2H])CCCCCC

Molecular Weight¹

119.26

• 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).
• IE : Ionization energy (eV).
• 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).
• 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
ω	0.4181		Relay (1.0) Calculated Property
ΔfG°	16.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-521.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.48	kJ/mol	Joback Calculated Property
ΔvapH°	36.64	kJ/mol	Relay (1.0) Calculated Property
IE	10.43	eV	Relay (1.0) Calculated Property
log10WS	-4.64		Relay (1.0) Calculated Property
logPoct/wat	3.367		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	2535.37	kPa	Joback Calculated Property
Inp	[796.63; 796.63]
Inp	796.63		NIST
Inp	796.63		NIST
Tboil	349.78	K	Relay (1.0) Calculated Property
Tc	755.44	K	Relay (1.0) Calculated Property
Tfus	207.66	K	Relay (1.0) Calculated Property
Vc	0.612	m3/kmol	Relay (1.0) Calculated Property

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	[0.0058548; 0.0002560]	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			-1.10527e+01
Coefficient B			1.06372e+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.			179.92
Temperature range, max.			382.32
η	0.0058548	Pa×s	179.92	Calculated Property
η	0.0030356	Pa×s	202.41	Calculated Property
η	0.0017948	Pa×s	224.90	Calculated Property
η	0.0011676	Pa×s	247.39	Calculated Property
η	0.0008160	Pa×s	269.87	Calculated Property
η	0.0006026	Pa×s	292.36	Calculated Property
η	0.0004647	Pa×s	314.85	Calculated Property
η	0.0003710	Pa×s	337.34	Calculated Property
η	0.0003046	Pa×s	359.83	Calculated Property
η	0.0002560	Pa×s	382.32	Calculated Property

Similar Compounds

Find more compounds similar to Octane-1,2-d5.

Sources

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

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