Chemical Properties of Heptane, 2,3-dimethyl- (CAS 3074-71-3)

InChI

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

InChI Key

WBRFDUJXCLCKPX-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCCCC(C)C(C)C

Molecular Weight¹

128.26

CAS

3074-71-3

Other Names

• 2,3-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	0.3850		KDB
AP	346.350	K	KDB
ΔfG°	20.02	kJ/mol	Joback Calculated Property
Δc,grossH	6119.77	kJ/mol	KDB
Δc,netH	5679.655	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	2400.00	kPa	KDB
Inp	[835.00; 867.00]
Inp	856.00		NIST
Inp	854.00		NIST
Inp	858.00		NIST
Inp	860.00		NIST
Inp	862.00		NIST
Inp	Outlier 835.10		NIST
Inp	854.00		NIST
Inp	Outlier 837.20		NIST
Inp	855.20		NIST
Inp	857.30		NIST
Inp	857.20		NIST
Inp	854.00		NIST
Inp	855.50		NIST
Inp	855.30		NIST
Inp	855.30		NIST
Inp	854.80		NIST
Inp	851.00		NIST
Inp	852.00		NIST
Inp	852.00		NIST
Inp	853.00		NIST
Inp	854.00		NIST
Inp	858.00		NIST
Inp	856.00		NIST
Inp	856.00		NIST
Inp	857.00		NIST
Inp	849.00		NIST
Inp	853.00		NIST
Inp	857.00		NIST
Inp	853.00		NIST
Inp	854.00		NIST
Inp	Outlier 867.00		NIST
Inp	Outlier 835.00		NIST
Inp	855.00		NIST
Inp	846.50		NIST
Inp	853.10		NIST
Inp	854.90		NIST
Inp	857.00		NIST
Inp	858.00		NIST
Inp	853.50		NIST
Inp	856.05		NIST
Inp	856.89		NIST
Inp	857.42		NIST
Inp	855.86		NIST
Inp	856.70		NIST
Inp	857.24		NIST
Inp	853.00		NIST
Inp	856.00		NIST
Inp	860.00		NIST
Inp	856.00		NIST
Inp	856.00		NIST
Inp	858.00		NIST
Inp	860.00		NIST
Inp	858.00		NIST
Inp	855.00		NIST
Inp	856.00		NIST
Inp	856.00		NIST
Inp	864.00		NIST
Inp	859.00		NIST
Inp	853.00		NIST
Inp	853.00		NIST
Inp	856.00		NIST
Tboil	[411.45; 413.85]	K
Tboil	413.70	K	KDB
Tboil	413.15 ± 1.00	K	NIST
Tboil	Outlier 411.45 ± 1.50	K	NIST
Tboil	413.15 ± 1.00	K	NIST
Tboil	413.70 ± 0.30	K	NIST
Tboil	413.30 ± 0.70	K	NIST
Tboil	413.85 ± 0.30	K	NIST
Tboil	413.80 ± 0.30	K	NIST
Tc	589.60	K	KDB
Tfus	160.00	K	KDB
Vc	0.515	m3/kmol	KDB
Zc	0.2521300		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	36.11	kJ/mol	413.70	KDB
n0	1.40620		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[303.19; 441.40]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41411e+01
Coefficient B			-3.36520e+03
Coefficient C			-6.02750e+01
Temperature range, min.			303.19
Temperature range, max.			441.40
Pvap	1.33	kPa	303.19	Calculated Property
Pvap	3.04	kPa	318.55	Calculated Property
Pvap	6.31	kPa	333.90	Calculated Property
Pvap	12.14	kPa	349.26	Calculated Property
Pvap	21.84	kPa	364.62	Calculated Property
Pvap	37.15	kPa	379.97	Calculated Property
Pvap	60.18	kPa	395.33	Calculated Property
Pvap	93.46	kPa	410.69	Calculated Property
Pvap	139.87	kPa	426.04	Calculated Property
Pvap	202.64	kPa	441.40	Calculated Property
Pvap	[1.32; 2406.67]	kPa	[302.15; 589.60]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.79990e+01
Coefficient B			-8.48564e+03
Coefficient C			-1.23212e+01
Coefficient D			8.00191e-06
Temperature range, min.			302.15
Temperature range, max.			589.60
Pvap	1.32	kPa	302.15	Calculated Property
Pvap	6.61	kPa	334.09	Calculated Property
Pvap	23.56	kPa	366.03	Calculated Property
Pvap	65.66	kPa	397.97	Calculated Property
Pvap	152.79	kPa	429.91	Calculated Property
Pvap	310.75	kPa	461.84	Calculated Property
Pvap	571.20	kPa	493.78	Calculated Property
Pvap	972.70	kPa	525.72	Calculated Property
Pvap	1563.55	kPa	557.66	Calculated Property
Pvap	2406.67	kPa	589.60	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 2,3-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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