Chemical Properties of Heptane, 2,4-dimethyl- (CAS 2213-23-2)

InChI

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

InChI Key

AUKVIBNBLXQNIZ-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCCC(C)CC(C)C

Molecular Weight¹

128.26

CAS

2213-23-2

Other Names

• 2,4-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.
• I : 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	0.3900		KDB
AP	351.150	K	KDB
ΔfG°	20.02	kJ/mol	Joback Calculated Property
Δc,grossH	6116.51	kJ/mol	KDB
Δc,netH	5676.391	kJ/mol	KDB
ΔfH°gas	-239.65	kJ/mol	Joback Calculated Property
ΔfusH°	12.02	kJ/mol	Joback Calculated Property
ΔvapH°	42.90	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	2340.00	kPa	KDB
Inp	[803.00; 837.00]
Inp	821.00		NIST
Inp	821.00		NIST
Inp	823.00		NIST
Inp	824.00		NIST
Inp	824.00		NIST
Inp	820.50		NIST
Inp	821.20		NIST
Inp	824.00		NIST
Inp	823.90		NIST
Inp	821.20		NIST
Inp	823.00		NIST
Inp	821.20		NIST
Inp	822.50		NIST
Inp	822.50		NIST
Inp	822.10		NIST
Inp	816.00		NIST
Inp	817.00		NIST
Inp	817.00		NIST
Inp	818.00		NIST
Inp	819.00		NIST
Inp	821.50		NIST
Inp	823.00		NIST
Inp	822.00		NIST
Inp	821.00		NIST
Inp	820.00		NIST
Inp	821.00		NIST
Inp	821.00		NIST
Inp	822.00		NIST
Inp	821.00		NIST
Inp	822.00		NIST
Inp	822.00		NIST
Inp	820.13		NIST
Inp	821.00		NIST
Inp	821.00		NIST
Inp	816.00		NIST
Inp	Outlier 837.00		NIST
Inp	826.00		NIST
Inp	821.00		NIST
Inp	822.20		NIST
Inp	823.10		NIST
Inp	822.09		NIST
Inp	822.21		NIST
Inp	820.80		NIST
Inp	821.00		NIST
Inp	823.00		NIST
Inp	823.00		NIST
Inp	824.00		NIST
Inp	822.00		NIST
Inp	823.00		NIST
Inp	824.00		NIST
Inp	824.00		NIST
Inp	830.00		NIST
Inp	825.00		NIST
Inp	823.00		NIST
Inp	Outlier 803.00		NIST
Inp	823.00		NIST
Inp	824.00		NIST
Inp	823.00		NIST
Inp	826.00		NIST
Inp	821.00		NIST
Inp	818.00		NIST
Inp	821.00		NIST
Inp	821.00		NIST
Inp	823.00		NIST
Inp	Outlier 837.00		NIST
Inp	825.00		NIST
Inp	818.00		NIST
Inp	822.20		NIST
Inp	821.00		NIST
Inp	820.50		NIST
Inp	823.00		NIST
Inp	816.00		NIST
Inp	821.50		NIST
Inp	822.00		NIST
I	797.00		NIST
Tboil	[352.00; 406.65]	K
Tboil	406.10	K	KDB
Tboil	406.20 ± 2.00	K	NIST
Tboil	405.00 ± 4.00	K	NIST
Tboil	405.65 ± 1.50	K	NIST
Tboil	404.65 ± 1.00	K	NIST
Tboil	Outlier 352.00 ± 4.00	K	NIST
Tboil	406.25 ± 0.50	K	NIST
Tboil	406.05 ± 0.50	K	NIST
Tboil	406.65 ± 0.70	K	NIST
Tboil	406.65 ± 0.30	K	NIST
Tboil	404.40 ± 1.50	K	NIST
Tboil	406.10 ± 0.30	K	NIST
Tboil	405.80 ± 0.50	K	NIST
Tc	576.80	K	KDB
Tfus	160.00	K	KDB
Vc	0.517	m3/kmol	KDB
Zc	0.2522580		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	35.35	kJ/mol	406.10	KDB
n0	1.40110		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[297.59; 433.29]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41368e+01
Coefficient B			-3.30150e+03
Coefficient C			-5.91970e+01
Temperature range, min.			297.59
Temperature range, max.			433.29
Pvap	1.33	kPa	297.59	Calculated Property
Pvap	3.04	kPa	312.67	Calculated Property
Pvap	6.31	kPa	327.75	Calculated Property
Pvap	12.14	kPa	342.82	Calculated Property
Pvap	21.85	kPa	357.90	Calculated Property
Pvap	37.16	kPa	372.98	Calculated Property
Pvap	60.19	kPa	388.06	Calculated Property
Pvap	93.47	kPa	403.13	Calculated Property
Pvap	139.88	kPa	418.21	Calculated Property
Pvap	202.64	kPa	433.29	Calculated Property
Pvap	[1.30; 2334.76]	kPa	[297.15; 576.80]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.87468e+01
Coefficient B			-8.44859e+03
Coefficient C			-1.24266e+01
Coefficient D			7.98931e-06
Temperature range, min.			297.15
Temperature range, max.			576.80
Pvap	1.30	kPa	297.15	Calculated Property
Pvap	6.50	kPa	328.22	Calculated Property
Pvap	23.20	kPa	359.29	Calculated Property
Pvap	64.79	kPa	390.37	Calculated Property
Pvap	150.91	kPa	421.44	Calculated Property
Pvap	306.80	kPa	452.51	Calculated Property
Pvap	562.82	kPa	483.58	Calculated Property
Pvap	954.99	kPa	514.66	Calculated Property
Pvap	1527.13	kPa	545.73	Calculated Property
Pvap	2334.76	kPa	576.80	Calculated Property

Similar Compounds

Find more compounds similar to Heptane, 2,4-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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