Chemical Properties of Heptane, 3,4-dimethyl- (CAS 922-28-1)

InChI

InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3

InChI Key

MAKRYGRRIKSDES-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCCC(C)C(C)CC

Molecular Weight¹

128.26

CAS

922-28-1

Other Names

• 3,4-Dimethylheptane

• 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	0.3790		KDB
AP	343.150	K	KDB
ΔfG°	20.02	kJ/mol	Joback Calculated Property
Δc,grossH	6121.95	kJ/mol	KDB
Δc,netH	5681.830	kJ/mol	KDB
ΔfH°gas	-239.65	kJ/mol	Joback Calculated Property
ΔfusH°	12.02	kJ/mol	Joback Calculated Property
ΔvapH°	43.60	kJ/mol	NIST
log10WS	-3.11		Crippen Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	2460.00	kPa	KDB
Inp	[855.00; 869.20]
Inp	858.00		NIST
Inp	856.00		NIST
Inp	859.20		NIST
Inp	859.40		NIST
Inp	859.90		NIST
Inp	860.00		NIST
Inp	858.00		NIST
Inp	858.50		NIST
Inp	858.50		NIST
Inp	855.00		NIST
Inp	856.00		NIST
Inp	857.00		NIST
Inp	858.00		NIST
Inp	859.00		NIST
Inp	858.00		NIST
Inp	859.00		NIST
Inp	856.00		NIST
Inp	858.00		NIST
Inp	860.00		NIST
Inp	857.00		NIST
Inp	858.00		NIST
Inp	860.00		NIST
Inp	860.00		NIST
Inp	Outlier 868.40		NIST
Inp	Outlier 869.20		NIST
Inp	858.80		NIST
Inp	856.80		NIST
Inp	857.61		NIST
Inp	857.79		NIST
Inp	858.00		NIST
Inp	859.00		NIST
Inp	859.00		NIST
Inp	862.00		NIST
Inp	861.00		NIST
Inp	859.00		NIST
Inp	860.00		NIST
Inp	858.00		NIST
Inp	859.00		NIST
Inp	858.00		NIST
Inp	859.00		NIST
Inp	858.80		NIST
Inp	860.00		NIST
Tboil	[413.25; 413.85]	K
Tboil	413.80	K	KDB
Tboil	413.80	K	NIST
Tboil	413.85 ± 0.30	K	NIST
Tboil	413.25 ± 0.50	K	NIST
Tc	591.90	K	KDB
Tfus	170.00	K	KDB
Vc	0.503	m3/kmol	KDB
Zc	0.2514310		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.52; 353.86]	J/mol×K	[404.44; 574.89]
Cp,gas	272.52	J/mol×K	404.44	Joback Calculated Property
Cp,gas	287.44	J/mol×K	432.85	Joback Calculated Property
Cp,gas	301.80	J/mol×K	461.26	Joback Calculated Property
Cp,gas	315.61	J/mol×K	489.67	Joback Calculated Property
Cp,gas	328.88	J/mol×K	518.07	Joback Calculated Property
Cp,gas	341.62	J/mol×K	546.48	Joback Calculated Property
Cp,gas	353.86	J/mol×K	574.89	Joback Calculated Property
η	[0.0002255; 0.0224972]	Pa×s	[161.19; 404.44]
η	0.0224972	Pa×s	161.19	Joback Calculated Property
η	0.0048330	Pa×s	201.73	Joback Calculated Property
η	0.0017372	Pa×s	242.27	Joback Calculated Property
η	0.0008373	Pa×s	282.81	Joback Calculated Property
η	0.0004846	Pa×s	323.36	Joback Calculated Property
η	0.0003168	Pa×s	363.90	Joback Calculated Property
η	0.0002255	Pa×s	404.44	Joback Calculated Property
ΔvapH	36.36	kJ/mol	413.80	KDB
n0	1.40890		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[302.18; 441.65]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42531e+01
Coefficient B			-3.46685e+03
Coefficient C			-5.39320e+01
Temperature range, min.			302.18
Temperature range, max.			441.65
Pvap	1.33	kPa	302.18	Calculated Property
Pvap	3.03	kPa	317.68	Calculated Property
Pvap	6.28	kPa	333.17	Calculated Property
Pvap	12.07	kPa	348.67	Calculated Property
Pvap	21.72	kPa	364.17	Calculated Property
Pvap	36.96	kPa	379.66	Calculated Property
Pvap	59.93	kPa	395.16	Calculated Property
Pvap	93.18	kPa	410.66	Calculated Property
Pvap	139.65	kPa	426.15	Calculated Property
Pvap	202.63	kPa	441.65	Calculated Property
Pvap	[1.33; 2469.78]	kPa	[302.15; 591.90]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.56536e+01
Coefficient B			-8.37141e+03
Coefficient C			-1.19715e+01
Coefficient D			7.76203e-06
Temperature range, min.			302.15
Temperature range, max.			591.90
Pvap	1.33	kPa	302.15	Calculated Property
Pvap	6.71	kPa	334.34	Calculated Property
Pvap	23.97	kPa	366.54	Calculated Property
Pvap	66.96	kPa	398.73	Calculated Property
Pvap	156.08	kPa	430.93	Calculated Property
Pvap	317.89	kPa	463.12	Calculated Property
Pvap	584.98	kPa	495.32	Calculated Property
Pvap	997.04	kPa	527.51	Calculated Property
Pvap	1603.76	kPa	559.71	Calculated Property
Pvap	2469.78	kPa	591.90	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3,4-dimethyl-.

Sources

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

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