Chemical Properties of 4,4-Dimethyl octane (CAS 15869-95-1)

InChI

InChI=1S/C10H22/c1-5-7-9-10(3,4)8-6-2/h5-9H2,1-4H3

InChI Key

ZMEDGZAGMLTROM-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCC(C)(C)CCC

Molecular Weight¹

142.28

CAS

15869-95-1

Other Names

• 4,4-DIMETHYLOCTANE
• Octane, 4,4-dimethyl-

• 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).
• 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	0.4015		Relay (1.0) Calculated Property
ΔfG°	36.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.24	kJ/mol	Joback Calculated Property
ΔvapH°	48.10	kJ/mol	NIST
log10WS	-5.61		Relay (1.0) Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[917.00; 930.00]
Inp	918.00		NIST
Inp	921.00		NIST
Inp	921.00		NIST
Inp	918.00		NIST
Inp	920.00		NIST
Inp	918.00		NIST
Inp	921.00		NIST
Inp	920.00		NIST
Inp	Outlier 930.00		NIST
Inp	917.00		NIST
Inp	921.00		NIST
Inp	920.00		NIST
Inp	925.00		NIST
Inp	920.00		NIST
Inp	918.00		NIST
Inp	918.00		NIST
Inp	920.00		NIST
Inp	918.00		NIST
Inp	921.00		NIST
Inp	925.00		NIST
Inp	920.00		NIST
Tboil	[426.15; 430.70]	K
Tboil	430.70	K	NIST
Tboil	428.00 ± 2.00	K	NIST
Tboil	426.15 ± 3.00	K	NIST
Tboil	430.65 ± 0.50	K	NIST
Tc	606.01	K	Relay (1.0) Calculated Property
Tfus	166.20	K	Relay (1.0) Calculated Property
Vc	0.560	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.16; 536.70]	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			-3.06750e+01
Coefficient B			1.07968e+00
Coefficient C			-6.92000e-04
Coefficient D			1.79700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.16	J/mol×K	273.00	Calculated Property
Cp,gas	272.64	J/mol×K	353.78	Calculated Property
Cp,gas	322.58	J/mol×K	434.56	Calculated Property
Cp,gas	366.54	J/mol×K	515.33	Calculated Property
Cp,gas	405.10	J/mol×K	596.11	Calculated Property
Cp,gas	438.82	J/mol×K	676.89	Calculated Property
Cp,gas	468.27	J/mol×K	757.67	Calculated Property
Cp,gas	494.03	J/mol×K	838.44	Calculated Property
Cp,gas	516.65	J/mol×K	919.22	Calculated Property
Cp,gas	536.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0108562; 0.0002636]	Pa×s	[204.88; 418.45]	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			-1.18082e+01
Coefficient B			1.49258e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			204.88
Temperature range, max.			418.45
η	0.0108562	Pa×s	204.88	Calculated Property
η	0.0050964	Pa×s	228.61	Calculated Property
η	0.0027582	Pa×s	252.34	Calculated Property
η	0.0016589	Pa×s	276.07	Calculated Property
η	0.0010813	Pa×s	299.80	Calculated Property
η	0.0007505	Pa×s	323.53	Calculated Property
η	0.0005476	Pa×s	347.26	Calculated Property
η	0.0004160	Pa×s	370.99	Calculated Property
η	0.0003266	Pa×s	394.72	Calculated Property
η	0.0002636	Pa×s	418.45	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.32; 2207.62]	kPa	[315.15; 606.90]	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			1.00564e+02
Coefficient B			-8.97438e+03
Coefficient C			-1.26107e+01
Coefficient D			7.43125e-06
Coefficient E			0.00000e+00
Temperature range, min.			315.15
Temperature range, max.			606.90
Pvap	1.32	kPa	315.15	Calculated Property
Pvap	6.40	kPa	347.57	Calculated Property
Pvap	22.42	kPa	379.98	Calculated Property
Pvap	61.85	kPa	412.40	Calculated Property
Pvap	143.00	kPa	444.82	Calculated Property
Pvap	289.55	kPa	477.23	Calculated Property
Pvap	530.29	kPa	509.65	Calculated Property
Pvap	899.81	kPa	542.07	Calculated Property
Pvap	1440.74	kPa	574.48	Calculated Property
Pvap	2207.62	kPa	606.90	Calculated Property

Similar Compounds

Find more compounds similar to 4,4-Dimethyl octane.

Sources

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

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