Chemical Properties of Heptane, 4-ethyl-4-methyl- (CAS 17302-04-4)

InChI

InChI=1S/C10H22/c1-5-8-10(4,7-3)9-6-2/h5-9H2,1-4H3

InChI Key

MPYQJQDSICRCJJ-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCC(C)(CC)CCC

Molecular Weight¹

142.28

CAS

17302-04-4

Other Names

• 4-Ethyl-4-methylheptane
• 4-Methyl-4-ethylheptane

• 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°	36.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-258.48	kJ/mol	Joback Calculated Property
ΔfusH°	14.24	kJ/mol	Joback Calculated Property
ΔvapH°	47.20	kJ/mol	NIST
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[937.60; 946.00]
Inp	938.00		NIST
Inp	937.60		NIST
Inp	938.00		NIST
Inp	Outlier 946.00		NIST
Inp	938.00		NIST
Inp	938.00		NIST
Inp	938.00		NIST
Tboil	424.97	K	Joback Calculated Property
Tc	597.50	K	Joback Calculated Property
Tfus	204.88	K	Joback Calculated Property
Vc	0.585	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.97; 405.72]	J/mol×K	[424.97; 597.50]
Cp,gas	316.97	J/mol×K	424.97	Joback Calculated Property
Cp,gas	333.53	J/mol×K	453.73	Joback Calculated Property
Cp,gas	349.34	J/mol×K	482.48	Joback Calculated Property
Cp,gas	364.44	J/mol×K	511.24	Joback Calculated Property
Cp,gas	378.86	J/mol×K	539.99	Joback Calculated Property
Cp,gas	392.61	J/mol×K	568.75	Joback Calculated Property
Cp,gas	405.72	J/mol×K	597.50	Joback Calculated Property
η	[0.0002495; 0.0108562]	Pa×s	[204.88; 424.97]
η	0.0108562	Pa×s	204.88	Joback Calculated Property
η	0.0035911	Pa×s	241.56	Joback Calculated Property
η	0.0015903	Pa×s	278.24	Joback Calculated Property
η	0.0008514	Pa×s	314.92	Joback Calculated Property
η	0.0005192	Pa×s	351.61	Joback Calculated Property
η	0.0003477	Pa×s	388.29	Joback Calculated Property
η	0.0002495	Pa×s	424.97	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[316.95; 463.25]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42220e+01
Coefficient B			-3.61559e+03
Coefficient C			-5.74800e+01
Temperature range, min.			316.95
Temperature range, max.			463.25
Pvap	1.33	kPa	316.95	Calculated Property
Pvap	3.03	kPa	333.21	Calculated Property
Pvap	6.29	kPa	349.46	Calculated Property
Pvap	12.09	kPa	365.72	Calculated Property
Pvap	21.75	kPa	381.97	Calculated Property
Pvap	37.01	kPa	398.23	Calculated Property
Pvap	60.00	kPa	414.48	Calculated Property
Pvap	93.27	kPa	430.74	Calculated Property
Pvap	139.73	kPa	446.99	Calculated Property
Pvap	202.67	kPa	463.25	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 4-ethyl-4-methyl-.

Sources

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

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