Chemical Properties of Octane, 2,4-dimethyl- (CAS 4032-94-4)

InChI

InChI=1S/C10H22/c1-5-6-7-10(4)8-9(2)3/h9-10H,5-8H2,1-4H3

InChI Key

IXAVTTRPEXFVSX-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCC(C)CC(C)C

Molecular Weight¹

142.28

CAS

4032-94-4

Other Names

• 2,4-dimethyloctane

• 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).
• NFPA Fire : NFPA Fire Rating.
• 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	0.4300		KDB
AP	353.150	K	KDB
ΔfG°	28.44	kJ/mol	Joback Calculated Property
Δc,grossH	6770.38	kJ/mol	KDB
Δc,netH	6286.251	kJ/mol	KDB
ΔfH°gas	-260.29	kJ/mol	Joback Calculated Property
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
ΔvapH°	48.50	kJ/mol	NIST
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
Pc	2140.00	kPa	KDB
Inp	[906.00; 934.00]
Inp	916.00		NIST
Inp	906.00		NIST
Inp	906.00		NIST
Inp	906.00		NIST
Inp	917.00		NIST
Inp	916.80		NIST
Inp	915.80		NIST
Inp	915.50		NIST
Inp	916.00		NIST
Inp	915.50		NIST
Inp	924.40		NIST
Inp	914.00		NIST
Inp	916.00		NIST
Inp	920.00		NIST
Inp	Outlier 934.00		NIST
Inp	916.00		NIST
Inp	916.00		NIST
Inp	925.00		NIST
Inp	916.00		NIST
Inp	924.40		NIST
Inp	916.00		NIST
Inp	916.80		NIST
Tboil	[429.05; 429.10]	K
Tboil	429.10	K	KDB
Tboil	429.05 ± 0.50	K	NIST
Tc	599.40	K	KDB
Tfus	219.00	K	KDB
Vc	0.566	m3/kmol	KDB
Zc	0.2430390		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.26; 401.95]	J/mol×K	[427.32; 596.92]
Cp,gas	315.26	J/mol×K	427.32	Joback Calculated Property
Cp,gas	331.18	J/mol×K	455.59	Joback Calculated Property
Cp,gas	346.50	J/mol×K	483.85	Joback Calculated Property
Cp,gas	361.21	J/mol×K	512.12	Joback Calculated Property
Cp,gas	375.35	J/mol×K	540.39	Joback Calculated Property
Cp,gas	388.93	J/mol×K	568.65	Joback Calculated Property
Cp,gas	401.95	J/mol×K	596.92	Joback Calculated Property
η	[0.0002171; 0.0214146]	Pa×s	[172.46; 427.32]
η	0.0214146	Pa×s	172.46	Joback Calculated Property
η	0.0046771	Pa×s	214.94	Joback Calculated Property
η	0.0016877	Pa×s	257.41	Joback Calculated Property
η	0.0008129	Pa×s	299.89	Joback Calculated Property
η	0.0004693	Pa×s	342.37	Joback Calculated Property
η	0.0003059	Pa×s	384.84	Joback Calculated Property
η	0.0002171	Pa×s	427.32	Joback Calculated Property
ΔvapH	[37.82; 44.90]	kJ/mol	[328.00; 429.10]
ΔvapH	44.90 ± 0.20	kJ/mol	328.00	NIST
ΔvapH	43.60 ± 0.20	kJ/mol	343.00	NIST
ΔvapH	42.40 ± 0.20	kJ/mol	358.00	NIST
ΔvapH	37.82	kJ/mol	429.10	KDB
n0	1.40690		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[315.87; 457.45]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41560e+01
Coefficient B			-3.45677e+03
Coefficient C			-6.66180e+01
Temperature range, min.			315.87
Temperature range, max.			457.45
Pvap	1.33	kPa	315.87	Calculated Property
Pvap	3.04	kPa	331.60	Calculated Property
Pvap	6.31	kPa	347.33	Calculated Property
Pvap	12.13	kPa	363.06	Calculated Property
Pvap	21.82	kPa	378.79	Calculated Property
Pvap	37.12	kPa	394.53	Calculated Property
Pvap	60.14	kPa	410.26	Calculated Property
Pvap	93.42	kPa	425.99	Calculated Property
Pvap	139.84	kPa	441.72	Calculated Property
Pvap	202.64	kPa	457.45	Calculated Property
Pvap	[1.35; 2135.82]	kPa	[316.15; 599.40]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.05704e+02
Coefficient B			-9.29793e+03
Coefficient C			-1.33354e+01
Coefficient D			7.70166e-06
Temperature range, min.			316.15
Temperature range, max.			599.40
Pvap	1.35	kPa	316.15	Calculated Property
Pvap	6.43	kPa	347.62	Calculated Property
Pvap	22.23	kPa	379.09	Calculated Property
Pvap	60.90	kPa	410.57	Calculated Property
Pvap	140.24	kPa	442.04	Calculated Property
Pvap	283.20	kPa	473.51	Calculated Property
Pvap	517.49	kPa	504.98	Calculated Property
Pvap	876.02	kPa	536.46	Calculated Property
Pvap	1398.69	kPa	567.93	Calculated Property
Pvap	2135.82	kPa	599.40	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 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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