Chemical Properties of Octane, 2,7-dimethyl- (CAS 1072-16-8)

InChI

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

InChI Key

KEVMYFLMMDUPJE-UHFFFAOYSA-N

Formula

C10H22

SMILES

CC(C)CCCCC(C)C

Molecular Weight¹

142.28

CAS

1072-16-8

Other Names

• 2,7-Dimethyloctane
• Diisoamyl
• Diisopentyl

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4469		Relay (1.0) Calculated Property
ΔcH°liquid	-6747.11	kJ/mol	NIST
ΔfG°	28.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
ΔvapH°	47.70	kJ/mol	NIST
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-5.76		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	[927.80; 931.00]
Inp	928.00		NIST
Inp	930.40		NIST
Inp	930.40		NIST
Inp	928.00		NIST
Inp	928.50		NIST
Inp	927.80		NIST
Inp	928.00		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Inp	Outlier 931.00		NIST
Inp	929.00		NIST
Inp	928.00		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Inp	928.00		NIST
Inp	927.80		NIST
Inp	929.00		NIST
Tboil	[429.90; 446.15]	K
Tboil	433.10	K	NIST
Tboil	433.65 ± 2.00	K	NIST
Tboil	433.02 ± 0.40	K	NIST
Tboil	433.15 ± 1.50	K	NIST
Tboil	433.02 ± 0.50	K	NIST
Tboil	433.02 ± 0.40	K	NIST
Tboil	433.15 ± 0.50	K	NIST
Tboil	Outlier 446.15 ± 0.70	K	NIST
Tboil	433.35 ± 0.50	K	NIST
Tboil	433.40 ± 0.50	K	NIST
Tboil	433.20 ± 0.60	K	NIST
Tboil	433.40 ± 1.00	K	NIST
Tboil	429.90 ± 1.00	K	NIST
Tboil	431.93 ± 1.50	K	NIST
Tc	603.05	K	Relay (1.0) Calculated Property
Tfus	[218.55; 222.45]	K
Tfus	218.55 ± 0.30	K	NIST
Tfus	218.55 ± 1.00	K	NIST
Tfus	218.55 ± 0.30	K	NIST
Tfus	222.45 ± 0.50	K	NIST
Tfus	220.55 ± 0.50	K	NIST
Tfus	220.65 ± 0.40	K	NIST
Vc	0.586	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.38; 402.08]	J/mol×K	[427.52; 597.20]
Cp,gas	315.38	J/mol×K	427.52	Joback Calculated Property
Cp,gas	331.30	J/mol×K	455.80	Joback Calculated Property
Cp,gas	346.62	J/mol×K	484.08	Joback Calculated Property
Cp,gas	361.34	J/mol×K	512.36	Joback Calculated Property
Cp,gas	375.48	J/mol×K	540.64	Joback Calculated Property
Cp,gas	389.05	J/mol×K	568.92	Joback Calculated Property
Cp,gas	402.08	J/mol×K	597.20	Joback Calculated Property
Cp,liquid	[272.20; 303.60]	J/mol×K	[230.00; 300.00]
Cp,liquid	272.20	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	276.70	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	281.20	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	285.70	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	290.20	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	291.60	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	294.60	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	299.10	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	301.70	J/mol×K	295.00	NIST
Cp,liquid	302.80	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	303.60	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0002168; 0.0214146]	Pa×s	[172.46; 427.52]
η	0.0214146	Pa×s	172.46	Joback Calculated Property
η	0.0046726	Pa×s	214.97	Joback Calculated Property
η	0.0016855	Pa×s	257.48	Joback Calculated Property
η	0.0008117	Pa×s	299.99	Joback Calculated Property
η	0.0004686	Pa×s	342.50	Joback Calculated Property
η	0.0003054	Pa×s	385.01	Joback Calculated Property
η	0.0002168	Pa×s	427.52	Joback Calculated Property
ΔvapH	45.20	kJ/mol	356.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[319.46; 461.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41298e+01
Coefficient B			-3.45264e+03
Coefficient C			-7.00330e+01
Temperature range, min.			319.46
Temperature range, max.			461.56
Pvap	1.33	kPa	319.46	Calculated Property
Pvap	3.04	kPa	335.25	Calculated Property
Pvap	6.32	kPa	351.04	Calculated Property
Pvap	12.14	kPa	366.83	Calculated Property
Pvap	21.85	kPa	382.62	Calculated Property
Pvap	37.17	kPa	398.40	Calculated Property
Pvap	60.20	kPa	414.19	Calculated Property
Pvap	93.48	kPa	429.98	Calculated Property
Pvap	139.89	kPa	445.77	Calculated Property
Pvap	202.64	kPa	461.56	Calculated Property
Pvap	[1.34; 2095.52]	kPa	[319.15; 602.90]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.08460e+02
Coefficient B			-9.52017e+03
Coefficient C			-1.37254e+01
Coefficient D			7.82701e-06
Temperature range, min.			319.15
Temperature range, max.			602.90
Pvap	1.34	kPa	319.15	Calculated Property
Pvap	6.33	kPa	350.68	Calculated Property
Pvap	21.84	kPa	382.21	Calculated Property
Pvap	59.77	kPa	413.73	Calculated Property
Pvap	137.53	kPa	445.26	Calculated Property
Pvap	277.61	kPa	476.79	Calculated Property
Pvap	507.20	kPa	508.32	Calculated Property
Pvap	858.70	kPa	539.84	Calculated Property
Pvap	1371.51	kPa	571.37	Calculated Property
Pvap	2095.52	kPa	602.90	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2,7-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
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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