Chemical Properties of Heptane, 4-ethyl-3-methyl- (CAS 52896-89-6)

InChI

InChI=1S/C10H22/c1-5-8-10(7-3)9(4)6-2/h9-10H,5-8H2,1-4H3

InChI Key

BTGGSWBKRYMHQK-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCC(CC)C(C)CC

Molecular Weight¹

142.28

CAS

52896-89-6

Other Names

• 3-Methyl-4-ethylheptane
• 4-Ethyl-3-methylheptane

• 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°	28.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.29	kJ/mol	Joback Calculated Property
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
ΔvapH°	47.70	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	2139.38	kPa	Joback Calculated Property
Inp	[935.00; 936.00]
Inp	936.00		NIST
Inp	935.70		NIST
Inp	Outlier 935.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Tboil	427.32	K	Joback Calculated Property
Tc	596.92	K	Joback Calculated Property
Tfus	172.46	K	Joback Calculated Property
Vc	0.584	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.26; 401.95]	J/mol×K	[427.32; 596.92]
Cp,gas	315.26	J/mol×K	427.32	Joback Calculated Property
Cp,gas	331.18	J/mol×K	455.59	Joback Calculated Property
Cp,gas	346.50	J/mol×K	483.85	Joback Calculated Property
Cp,gas	361.21	J/mol×K	512.12	Joback Calculated Property
Cp,gas	375.35	J/mol×K	540.39	Joback Calculated Property
Cp,gas	388.93	J/mol×K	568.65	Joback Calculated Property
Cp,gas	401.95	J/mol×K	596.92	Joback Calculated Property
η	[0.0002171; 0.0214146]	Pa×s	[172.46; 427.32]
η	0.0214146	Pa×s	172.46	Joback Calculated Property
η	0.0046771	Pa×s	214.94	Joback Calculated Property
η	0.0016877	Pa×s	257.41	Joback Calculated Property
η	0.0008129	Pa×s	299.89	Joback Calculated Property
η	0.0004693	Pa×s	342.37	Joback Calculated Property
η	0.0003059	Pa×s	384.84	Joback Calculated Property
η	0.0002171	Pa×s	427.32	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[318.58; 464.48]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43119e+01
Coefficient B			-3.66568e+03
Coefficient C			-5.72050e+01
Temperature range, min.			318.58
Temperature range, max.			464.48
Pvap	1.33	kPa	318.58	Calculated Property
Pvap	3.02	kPa	334.79	Calculated Property
Pvap	6.27	kPa	351.00	Calculated Property
Pvap	12.03	kPa	367.21	Calculated Property
Pvap	21.65	kPa	383.42	Calculated Property
Pvap	36.86	kPa	399.64	Calculated Property
Pvap	59.79	kPa	415.85	Calculated Property
Pvap	93.03	kPa	432.06	Calculated Property
Pvap	139.53	kPa	448.27	Calculated Property
Pvap	202.64	kPa	464.48	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 4-ethyl-3-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• 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.