Chemical Properties of Hexane, 2,2,4,4-tetramethyl- (CAS 51750-65-3)

InChI

InChI=1S/C10H22/c1-7-10(5,6)8-9(2,3)4/h7-8H2,1-6H3

InChI Key

PXHNHTBJHHSVPT-UHFFFAOYSA-N

Formula

C10H22

SMILES

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

Molecular Weight¹

142.28

CAS

51750-65-3

Other Names

• 2,2,4,4-Tetramethylhexane

• 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).
• P_vap : Vapor 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	0.3548		Relay (1.0) Calculated Property
ΔfG°	39.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-271.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.83	kJ/mol	Joback Calculated Property
ΔvapH°	43.50	kJ/mol	NIST
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-5.26		Relay (1.0) Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2183.60	kPa	Joback Calculated Property
Inp	[888.60; 900.00]
Inp	889.00		NIST
Inp	888.60		NIST
Inp	888.80		NIST
Inp	Outlier 900.00		NIST
Inp	889.00		NIST
Inp	889.00		NIST
Inp	889.00		NIST
Inp	889.00		NIST
Tboil	421.41	K	Relay (1.0) Calculated Property
Tc	599.69	K	Relay (1.0) Calculated Property
Tfus	167.49	K	Relay (1.0) Calculated Property
Vc	0.559	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.70; 538.17]	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			-5.51480e+01
Coefficient B			1.20552e+00
Coefficient C			-8.63800e-04
Coefficient D			2.51600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.70	J/mol×K	273.00	Calculated Property
Cp,gas	274.37	J/mol×K	353.78	Calculated Property
Cp,gas	326.25	J/mol×K	434.56	Calculated Property
Cp,gas	371.13	J/mol×K	515.33	Calculated Property
Cp,gas	409.82	J/mol×K	596.11	Calculated Property
Cp,gas	443.11	J/mol×K	676.89	Calculated Property
Cp,gas	471.79	J/mol×K	757.67	Calculated Property
Cp,gas	496.67	J/mol×K	838.44	Calculated Property
Cp,gas	518.53	J/mol×K	919.22	Calculated Property
Cp,gas	538.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0186536; 0.0002601]	Pa×s	[207.30; 424.00]	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			-1.23422e+01
Coefficient B			1.73312e+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.			207.30
Temperature range, max.			424.00
η	0.0186536	Pa×s	207.30	Calculated Property
η	0.0078150	Pa×s	231.38	Calculated Property
η	0.0038576	Pa×s	255.45	Calculated Property
η	0.0021504	Pa×s	279.53	Calculated Property
η	0.0013152	Pa×s	303.61	Calculated Property
η	0.0008646	Pa×s	327.69	Calculated Property
η	0.0006020	Pa×s	351.76	Calculated Property
η	0.0004391	Pa×s	375.84	Calculated Property
η	0.0003326	Pa×s	399.92	Calculated Property
η	0.0002601	Pa×s	424.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[308.05; 456.79]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41639e+01
Coefficient B			-3.63699e+03
Coefficient C			-4.59470e+01
Temperature range, min.			308.05
Temperature range, max.			456.79
Pvap	1.33	kPa	308.05	Calculated Property
Pvap	3.04	kPa	324.58	Calculated Property
Pvap	6.31	kPa	341.10	Calculated Property
Pvap	12.12	kPa	357.63	Calculated Property
Pvap	21.82	kPa	374.16	Calculated Property
Pvap	37.11	kPa	390.68	Calculated Property
Pvap	60.13	kPa	407.21	Calculated Property
Pvap	93.40	kPa	423.74	Calculated Property
Pvap	139.82	kPa	440.26	Calculated Property
Pvap	202.64	kPa	456.79	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2,2,4,4-tetramethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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