Chemical Properties of Heptane, 4-ethyl- (CAS 2216-32-2)

InChI

InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3

InChI Key

XMROPFQWHHUFFS-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCCC(CC)CCC

Molecular Weight¹

128.26

CAS

2216-32-2

Other Names

• 4-Ethylheptane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• n₀ : Refractive Index.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4160		KDB
AP	341.150	K	KDB
ΔfG°	22.46	kJ/mol	Joback Calculated Property
Δc,grossH	6124.33	kJ/mol	KDB
Δc,netH	5684.216	kJ/mol	KDB
ΔfH°gas	-234.37	kJ/mol	Joback Calculated Property
ΔfusH°	15.54	kJ/mol	Joback Calculated Property
ΔvapH°	44.10	kJ/mol	NIST
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	2330.00	kPa	KDB
Inp	[856.00; 873.30]
Inp	858.00		NIST
Inp	856.00		NIST
Inp	866.00		NIST
Inp	857.40		NIST
Inp	858.50		NIST
Inp	861.80		NIST
Inp	861.90		NIST
Inp	857.00		NIST
Inp	858.20		NIST
Inp	859.00		NIST
Inp	859.60		NIST
Inp	857.60		NIST
Inp	861.00		NIST
Inp	856.00		NIST
Inp	856.00		NIST
Inp	857.00		NIST
Inp	857.00		NIST
Inp	858.00		NIST
Inp	857.50		NIST
Inp	858.00		NIST
Inp	861.00		NIST
Inp	857.00		NIST
Inp	858.00		NIST
Inp	858.00		NIST
Inp	863.00		NIST
Inp	858.00		NIST
Inp	858.00		NIST
Inp	Outlier 873.30		NIST
Inp	858.51		NIST
Inp	860.00		NIST
Inp	858.00		NIST
Inp	862.00		NIST
Inp	863.00		NIST
Inp	863.00		NIST
Inp	866.00		NIST
Inp	858.00		NIST
Inp	858.00		NIST
Inp	858.00		NIST
Inp	Outlier 873.30		NIST
Inp	858.00		NIST
Inp	861.80		NIST
Inp	859.60		NIST
Inp	857.00		NIST
Inp	861.00		NIST
Inp	863.00		NIST
Inp	862.00		NIST
Inp	858.51		NIST
Tboil	[411.65; 414.55]	K
Tboil	414.40	K	KDB
Tboil	414.35 ± 0.70	K	NIST
Tboil	414.55 ± 1.00	K	NIST
Tboil	411.65 ± 2.00	K	NIST
Tc	585.00	K	KDB
Tfus	160.00	K	KDB
Vc	0.533	m3/kmol	KDB
Zc	0.2555630		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.60; 351.89]	J/mol×K	[404.88; 571.57]
Cp,gas	272.60	J/mol×K	404.88	Joback Calculated Property
Cp,gas	287.11	J/mol×K	432.66	Joback Calculated Property
Cp,gas	301.08	J/mol×K	460.44	Joback Calculated Property
Cp,gas	314.53	J/mol×K	488.22	Joback Calculated Property
Cp,gas	327.48	J/mol×K	516.01	Joback Calculated Property
Cp,gas	339.92	J/mol×K	543.79	Joback Calculated Property
Cp,gas	351.89	J/mol×K	571.57	Joback Calculated Property
η	[0.0002341; 0.0108182]	Pa×s	[176.19; 404.88]
η	0.0108182	Pa×s	176.19	Joback Calculated Property
η	0.0032357	Pa×s	214.31	Joback Calculated Property
η	0.0013934	Pa×s	252.42	Joback Calculated Property
η	0.0007485	Pa×s	290.53	Joback Calculated Property
η	0.0004644	Pa×s	328.65	Joback Calculated Property
η	0.0003182	Pa×s	366.76	Joback Calculated Property
η	0.0002341	Pa×s	404.88	Joback Calculated Property
ΔvapH	36.65	kJ/mol	414.40	KDB
n0	1.40730		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[303.26; 441.97]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44017e+01
Coefficient B			-3.54239e+03
Coefficient C			-5.22760e+01
Temperature range, min.			303.26
Temperature range, max.			441.97
Pvap	1.33	kPa	303.26	Calculated Property
Pvap	3.02	kPa	318.67	Calculated Property
Pvap	6.24	kPa	334.08	Calculated Property
Pvap	11.98	kPa	349.50	Calculated Property
Pvap	21.56	kPa	364.91	Calculated Property
Pvap	36.72	kPa	380.32	Calculated Property
Pvap	59.61	kPa	395.73	Calculated Property
Pvap	92.82	kPa	411.15	Calculated Property
Pvap	139.38	kPa	426.56	Calculated Property
Pvap	202.65	kPa	441.97	Calculated Property
Pvap	[1.33; 2348.03]	kPa	[303.15; 584.95]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.94742e+01
Coefficient B			-8.56034e+03
Coefficient C			-1.25523e+01
Coefficient D			8.47146e-06
Temperature range, min.			303.15
Temperature range, max.			584.95
Pvap	1.33	kPa	303.15	Calculated Property
Pvap	6.47	kPa	334.46	Calculated Property
Pvap	22.66	kPa	365.77	Calculated Property
Pvap	62.63	kPa	397.08	Calculated Property
Pvap	145.35	kPa	428.39	Calculated Property
Pvap	295.97	kPa	459.71	Calculated Property
Pvap	546.09	kPa	491.02	Calculated Property
Pvap	935.15	kPa	522.33	Calculated Property
Pvap	1513.57	kPa	553.64	Calculated Property
Pvap	2348.03	kPa	584.95	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• 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.