Chemical Properties of Hexane-d7

InChI

InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,3D2,5D2

InChI Key

VLKZOEOYAKHREP-HJHJEWFGSA-N

Formula

C6H7D7

SMILES

CCCCCC

Molecular Weight¹

93.22

• 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	0.3231		Relay (1.0) Calculated Property
ΔfG°	-0.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.30	kJ/mol	Joback Calculated Property
ΔvapH°	32.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.99	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	2.587		Crippen Calculated Property
McVol	95.400	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
Inp	[595.00; 595.00]
Inp	595.00		NIST
Inp	595.00		NIST
Tboil	349.60	K	Relay (1.0) Calculated Property
Tc	513.06	K	Relay (1.0) Calculated Property
Tfus	176.99	K	Relay (1.0) Calculated Property
Vc	0.383	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.76; 328.87]	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			-2.56600e+00
Coefficient B			5.73840e-01
Coefficient C			-3.02600e-04
Coefficient D			6.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.76	J/mol×K	273.00	Calculated Property
Cp,gas	165.24	J/mol×K	353.78	Calculated Property
Cp,gas	194.60	J/mol×K	434.56	Calculated Property
Cp,gas	221.03	J/mol×K	515.33	Calculated Property
Cp,gas	244.73	J/mol×K	596.11	Calculated Property
Cp,gas	265.89	J/mol×K	676.89	Calculated Property
Cp,gas	284.69	J/mol×K	757.67	Calculated Property
Cp,gas	301.33	J/mol×K	838.44	Calculated Property
Cp,gas	315.99	J/mol×K	919.22	Calculated Property
Cp,gas	328.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044393; 0.0002076]	Pa×s	[157.38; 350.19]	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			-1.09796e+01
Coefficient B			8.75400e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			157.38
Temperature range, max.			350.19
η	0.0044393	Pa×s	157.38	Calculated Property
η	0.0022797	Pa×s	178.80	Calculated Property
η	0.0013501	Pa×s	200.23	Calculated Property
η	0.0008848	Pa×s	221.65	Calculated Property
η	0.0006247	Pa×s	243.07	Calculated Property
η	0.0004667	Pa×s	264.50	Calculated Property
η	0.0003642	Pa×s	285.92	Calculated Property
η	0.0002942	Pa×s	307.34	Calculated Property
η	0.0002443	Pa×s	328.77	Calculated Property
η	0.0002076	Pa×s	350.19	Calculated Property

Similar Compounds

Find more compounds similar to Hexane-d7.

Sources

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

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