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

• 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).
• 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
ΔfG°	39.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-267.23	kJ/mol	Joback Calculated Property
ΔfusH°	6.83	kJ/mol	Joback Calculated Property
ΔvapH°	43.50	kJ/mol	NIST
log10WS	-3.52		Crippen 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	421.74	K	Joback Calculated Property
Tc	605.42	K	Joback Calculated Property
Tfus	207.30	K	Joback Calculated Property
Vc	0.574	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.50; 413.92]	J/mol×K	[421.74; 605.42]
Cp,gas	318.50	J/mol×K	421.74	Joback Calculated Property
Cp,gas	336.71	J/mol×K	452.35	Joback Calculated Property
Cp,gas	353.94	J/mol×K	482.97	Joback Calculated Property
Cp,gas	370.23	J/mol×K	513.58	Joback Calculated Property
Cp,gas	385.63	J/mol×K	544.19	Joback Calculated Property
Cp,gas	400.18	J/mol×K	574.81	Joback Calculated Property
Cp,gas	413.92	J/mol×K	605.42	Joback Calculated Property
η	[0.0002658; 0.0186536]	Pa×s	[207.30; 421.74]
η	0.0186536	Pa×s	207.30	Joback Calculated Property
η	0.0054554	Pa×s	243.04	Joback Calculated Property
η	0.0021867	Pa×s	278.78	Joback Calculated Property
η	0.0010789	Pa×s	314.52	Joback Calculated Property
η	0.0006149	Pa×s	350.26	Joback Calculated Property
η	0.0003889	Pa×s	386.00	Joback Calculated Property
η	0.0002658	Pa×s	421.74	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[308.05; 456.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.