Chemical Properties of Heptane, 3,5-dimethyl- (CAS 926-82-9)

InChI

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

InChI Key

DZJTZGHZAWTWGA-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCC(C)CC(C)CC

Molecular Weight¹

128.26

CAS

926-82-9

Other Names

• 3,5-dimethylheptane

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• ρ_l : Liquid Density (kg/m³).
• 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	0.3850		KDB
ΔfG°	20.02	kJ/mol	Joback Calculated Property
Δc,grossH	6118.31	kJ/mol	KDB
Δc,netH	5678.190	kJ/mol	KDB
ΔfH°gas	-254.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.02	kJ/mol	Joback Calculated Property
ΔvapH°	43.30	kJ/mol	NIST
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-5.23		Relay (1.0) Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	2400.00	kPa	KDB
Inp	[828.00; 856.00]
Inp	834.00		NIST
Inp	832.00		NIST
Inp	837.40		NIST
Inp	837.30		NIST
Inp	838.10		NIST
Inp	838.10		NIST
Inp	834.40		NIST
Inp	834.60		NIST
Inp	834.60		NIST
Inp	828.00		NIST
Inp	828.00		NIST
Inp	828.00		NIST
Inp	830.00		NIST
Inp	831.00		NIST
Inp	833.70		NIST
Inp	834.00		NIST
Inp	834.00		NIST
Inp	833.00		NIST
Inp	834.00		NIST
Inp	834.00		NIST
Inp	831.00		NIST
Inp	Outlier 845.60		NIST
Inp	839.00		NIST
Inp	834.00		NIST
Inp	840.20		NIST
Inp	837.60		NIST
Inp	837.20		NIST
Inp	Outlier 856.00		NIST
Inp	838.00		NIST
Inp	837.00		NIST
Inp	839.00		NIST
Inp	838.00		NIST
Inp	834.00		NIST
Inp	834.00		NIST
Inp	838.00		NIST
Inp	831.00		NIST
Inp	838.00		NIST
Inp	837.00		NIST
Tboil	[408.05; 409.20]	K
Tboil	409.20	K	KDB
Tboil	409.20	K	NIST
Tboil	408.65 ± 1.00	K	NIST
Tboil	408.05 ± 1.00	K	NIST
Tboil	409.15 ± 0.50	K	NIST
Tc	583.20	K	KDB
Tfus	170.00	K	KDB
Vc	0.510	m3/kmol	KDB
Zc	0.2524220		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	35.65	kJ/mol	409.20	KDB
n0	1.40440		298.15	KDB
ρl	[661.20; 734.10]	kg/m3	[283.15; 373.15]
ρl	734.10	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	734.00	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	726.20	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	726.30	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	718.40	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	718.40	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	710.50	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	710.50	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	702.50	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	702.50	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	694.50	kg/m3	333.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	686.30	kg/m3	343.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	678.00	kg/m3	353.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	669.70	kg/m3	363.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	661.20	kg/m3	373.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.78; 484.72]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.65700e+00
Coefficient B			8.70680e-01
Coefficient C			-4.72200e-04
Coefficient D			9.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.78	J/mol×K	273.00	Calculated Property
Cp,gas	244.47	J/mol×K	353.78	Calculated Property
Cp,gas	288.32	J/mol×K	434.56	Calculated Property
Cp,gas	327.62	J/mol×K	515.33	Calculated Property
Cp,gas	362.67	J/mol×K	596.11	Calculated Property
Cp,gas	393.78	J/mol×K	676.89	Calculated Property
Cp,gas	421.23	J/mol×K	757.67	Calculated Property
Cp,gas	445.34	J/mol×K	838.44	Calculated Property
Cp,gas	466.41	J/mol×K	919.22	Calculated Property
Cp,gas	484.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0151319; 0.0002192]	Pa×s	[170.00; 408.24]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14469e+01
Coefficient B			1.23352e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			170.00
Temperature range, max.			408.24
η	0.0151319	Pa×s	170.00	Calculated Property
η	0.0056927	Pa×s	196.47	Calculated Property
η	0.0027013	Pa×s	222.94	Calculated Property
η	0.0015015	Pa×s	249.41	Calculated Property
η	0.0009342	Pa×s	275.88	Calculated Property
η	0.0006316	Pa×s	302.36	Calculated Property
η	0.0004548	Pa×s	328.83	Calculated Property
η	0.0003439	Pa×s	355.30	Calculated Property
η	0.0002703	Pa×s	381.77	Calculated Property
η	0.0002192	Pa×s	408.24	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[299.55; 436.64]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41770e+01
Coefficient B			-3.36017e+03
Coefficient C			-5.76290e+01
Temperature range, min.			299.55
Temperature range, max.			436.64
Pvap	1.33	kPa	299.55	Calculated Property
Pvap	3.03	kPa	314.78	Calculated Property
Pvap	6.30	kPa	330.01	Calculated Property
Pvap	12.11	kPa	345.25	Calculated Property
Pvap	21.80	kPa	360.48	Calculated Property
Pvap	37.08	kPa	375.71	Calculated Property
Pvap	60.09	kPa	390.94	Calculated Property
Pvap	93.36	kPa	406.18	Calculated Property
Pvap	139.79	kPa	421.41	Calculated Property
Pvap	202.63	kPa	436.64	Calculated Property
Pvap	[1.30; 2403.75]	kPa	[299.15; 583.20]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.65761e+01
Coefficient B			-8.38639e+03
Coefficient C			-1.20980e+01
Coefficient D			7.74710e-06
Coefficient E			0.00000e+00
Temperature range, min.			299.15
Temperature range, max.			583.20
Pvap	1.30	kPa	299.15	Calculated Property
Pvap	6.56	kPa	330.71	Calculated Property
Pvap	23.51	kPa	362.27	Calculated Property
Pvap	65.81	kPa	393.83	Calculated Property
Pvap	153.61	kPa	425.39	Calculated Property
Pvap	312.91	kPa	456.96	Calculated Property
Pvap	575.25	kPa	488.52	Calculated Property
Pvap	978.29	kPa	520.08	Calculated Property
Pvap	1568.19	kPa	551.64	Calculated Property
Pvap	2403.75	kPa	583.20	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 3,5-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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