Chemical Properties of Octane, 3,4-dimethyl- (CAS 15869-92-8)

InChI

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

InChI Key

QQCWGAMGBCGAQJ-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCC(C)C(C)CC

Molecular Weight¹

142.28

CAS

15869-92-8

Other Names

• 3,4-Dimethyloctane

• 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_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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4040		Relay (1.0) Calculated Property
ΔfG°	28.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
ΔvapH°	48.10	kJ/mol	NIST
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-5.53		Relay (1.0) Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[936.00; 939.00]
Inp	936.00		NIST
Inp	938.90		NIST
Inp	939.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Inp	936.00		NIST
Tboil	431.74	K	Relay (1.0) Calculated Property
Tc	613.44	K	Relay (1.0) Calculated Property
Tfus	186.07	K	Relay (1.0) Calculated Property
Vc	0.560	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.99; 536.31]	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			-9.56600e+00
Coefficient B			9.65680e-01
Coefficient C			-5.26600e-04
Coefficient D			1.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.99	J/mol×K	273.00	Calculated Property
Cp,gas	270.89	J/mol×K	353.78	Calculated Property
Cp,gas	319.40	J/mol×K	434.56	Calculated Property
Cp,gas	362.85	J/mol×K	515.33	Calculated Property
Cp,gas	401.58	J/mol×K	596.11	Calculated Property
Cp,gas	435.94	J/mol×K	676.89	Calculated Property
Cp,gas	466.25	J/mol×K	757.67	Calculated Property
Cp,gas	492.86	J/mol×K	838.44	Calculated Property
Cp,gas	516.10	J/mol×K	919.22	Calculated Property
Cp,gas	536.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0214146; 0.0002326]	Pa×s	[172.46; 418.04]	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			-1.15422e+01
Coefficient B			1.32768e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			172.46
Temperature range, max.			418.04
η	0.0214146	Pa×s	172.46	Calculated Property
η	0.0074813	Pa×s	199.75	Calculated Property
η	0.0033654	Pa×s	227.03	Calculated Property
η	0.0017970	Pa×s	254.32	Calculated Property
η	0.0010836	Pa×s	281.61	Calculated Property
η	0.0007145	Pa×s	308.89	Calculated Property
η	0.0005040	Pa×s	336.18	Calculated Property
η	0.0003747	Pa×s	363.47	Calculated Property
η	0.0002904	Pa×s	390.75	Calculated Property
η	0.0002326	Pa×s	418.04	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[320.24; 465.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42617e+01
Coefficient B			-3.61955e+03
Coefficient C			-6.12170e+01
Temperature range, min.			320.24
Temperature range, max.			465.63
Pvap	1.33	kPa	320.24	Calculated Property
Pvap	3.03	kPa	336.39	Calculated Property
Pvap	6.28	kPa	352.55	Calculated Property
Pvap	12.06	kPa	368.70	Calculated Property
Pvap	21.71	kPa	384.86	Calculated Property
Pvap	36.95	kPa	401.01	Calculated Property
Pvap	59.92	kPa	417.17	Calculated Property
Pvap	93.17	kPa	433.32	Calculated Property
Pvap	139.65	kPa	449.48	Calculated Property
Pvap	202.66	kPa	465.63	Calculated Property
Pvap	[1.33; 2241.75]	kPa	[320.15; 614.00]	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			1.03516e+02
Coefficient B			-9.24745e+03
Coefficient C			-1.30233e+01
Coefficient D			7.61189e-06
Coefficient E			0.00000e+00
Temperature range, min.			320.15
Temperature range, max.			614.00
Pvap	1.33	kPa	320.15	Calculated Property
Pvap	6.41	kPa	352.80	Calculated Property
Pvap	22.41	kPa	385.45	Calculated Property
Pvap	61.79	kPa	418.10	Calculated Property
Pvap	142.95	kPa	450.75	Calculated Property
Pvap	289.91	kPa	483.40	Calculated Property
Pvap	532.25	kPa	516.05	Calculated Property
Pvap	906.04	kPa	548.70	Calculated Property
Pvap	1456.36	kPa	581.35	Calculated Property
Pvap	2241.75	kPa	614.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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