Chemical Properties of Nonane, 3-methyl- (CAS 5911-04-6)

InChI

InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3

InChI Key

PLZDDPSCZHRBOY-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCCCC(C)CC

Molecular Weight¹

142.28

CAS

5911-04-6

Other Names

• 3-Methylnonane
• 3-Methylnonane, (DL)-

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (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	0.4510		KDB
AP	351.350	K	KDB
ΔfG°	30.88	kJ/mol	Joback Calculated Property
Δc,grossH	6775.15	kJ/mol	KDB
Δc,netH	6291.021	kJ/mol	KDB
ΔfH°gas	-255.01	kJ/mol	Joback Calculated Property
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
ΔvapH°	[49.72; 50.20]	kJ/mol
ΔvapH°	49.72	kJ/mol	NIST
ΔvapH°	50.20	kJ/mol	NIST
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2140.00	kPa	KDB
Inp	[958.00; 980.00]
Inp	970.40		NIST
Inp	970.50		NIST
Inp	970.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	967.00		NIST
Inp	Outlier 979.00		NIST
Inp	974.00		NIST
Inp	972.00		NIST
Inp	972.00		NIST
Inp	Outlier 980.00		NIST
Inp	976.00		NIST
Inp	971.20		NIST
Inp	971.30		NIST
Inp	973.00		NIST
Inp	970.40		NIST
Inp	970.40		NIST
Inp	970.60		NIST
Inp	972.50		NIST
Inp	970.40		NIST
Inp	971.30		NIST
Inp	969.60		NIST
Inp	970.20		NIST
Inp	973.00		NIST
Inp	Outlier 958.00		NIST
Inp	970.42		NIST
Inp	970.42		NIST
Inp	970.00		NIST
Inp	970.00		NIST
Inp	977.00		NIST
Inp	971.92		NIST
Inp	970.00		NIST
Inp	970.00		NIST
Inp	971.00		NIST
Inp	977.20		NIST
Inp	Outlier 979.00		NIST
Inp	969.00		NIST
Inp	972.00		NIST
Inp	976.00		NIST
Inp	Outlier 962.00		NIST
Inp	972.80		NIST
Inp	969.00		NIST
Inp	971.20		NIST
Inp	970.50		NIST
Inp	971.70		NIST
Inp	974.20		NIST
Inp	972.00		NIST
Inp	971.00		NIST
Inp	971.80		NIST
Inp	972.15		NIST
Inp	972.23		NIST
Inp	971.40		NIST
Inp	971.74		NIST
Inp	971.85		NIST
Inp	970.00		NIST
Inp	968.00		NIST
Inp	970.00		NIST
Inp	Outlier 960.00		NIST
Inp	971.00		NIST
Inp	969.00		NIST
Inp	970.00		NIST
Inp	975.00		NIST
Inp	970.00		NIST
Inp	974.00		NIST
Inp	973.00		NIST
Inp	972.10		NIST
Inp	967.00		NIST
Inp	970.00		NIST
Inp	Outlier 964.00		NIST
Inp	976.00		NIST
Inp	966.00		NIST
Inp	968.00		NIST
Inp	972.00		NIST
Inp	973.00		NIST
Inp	970.00		NIST
Inp	970.00		NIST
Inp	972.00		NIST
Inp	970.00		NIST
Inp	970.00		NIST
Inp	973.00		NIST
Inp	972.00		NIST
Inp	966.00		NIST
Inp	970.00		NIST
Inp	971.40		NIST
Inp	977.00		NIST
Inp	971.00		NIST
Inp	971.00		NIST
Inp	973.00		NIST
Inp	970.00		NIST
Inp	972.00		NIST
Inp	966.00		NIST
Inp	971.00		NIST
Inp	969.00		NIST
Inp	973.00		NIST
Inp	976.00		NIST
Inp	970.00		NIST
I	[965.00; 983.00]
I	983.00		NIST
I	969.00		NIST
I	965.00		NIST
I	983.00		NIST
I	969.00		NIST
S°liquid	427.20	J/mol×K	NIST
Tboil	441.00	K	KDB
Tc	[613.40; 613.60]	K
Tc	613.40	K	KDB
Tc	613.60	K	NIST
Tfus	[183.15; 188.49]	K
Tfus	188.00	K	KDB
Tfus	188.49 ± 0.20	K	NIST
Tfus	183.15 ± 0.50	K	NIST
Tfus	188.29 ± 0.20	K	NIST
Ttriple	188.50 ± 0.20	K	NIST
Vc	0.582	m3/kmol	KDB
Zc	0.2442060		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.29; 399.91]	J/mol×K	[427.76; 593.73]
Cp,gas	315.29	J/mol×K	427.76	Joback Calculated Property
Cp,gas	330.79	J/mol×K	455.42	Joback Calculated Property
Cp,gas	345.71	J/mol×K	483.08	Joback Calculated Property
Cp,gas	360.07	J/mol×K	510.75	Joback Calculated Property
Cp,gas	373.88	J/mol×K	538.41	Joback Calculated Property
Cp,gas	387.16	J/mol×K	566.07	Joback Calculated Property
Cp,gas	399.91	J/mol×K	593.73	Joback Calculated Property
Cp,liquid	308.99	J/mol×K	298.10	NIST
η	[0.0002265; 0.0108083]	Pa×s	[187.46; 427.76]
η	0.0108083	Pa×s	187.46	Joback Calculated Property
η	0.0032190	Pa×s	227.51	Joback Calculated Property
η	0.0013777	Pa×s	267.56	Joback Calculated Property
η	0.0007355	Pa×s	307.61	Joback Calculated Property
η	0.0004537	Pa×s	347.66	Joback Calculated Property
η	0.0003093	Pa×s	387.71	Joback Calculated Property
η	0.0002265	Pa×s	427.76	Joback Calculated Property
ΔfusH	[18.70; 18.70]	kJ/mol	[188.50; 188.50]
ΔfusH	18.70	kJ/mol	188.50	NIST
ΔfusH	18.70	kJ/mol	188.50	NIST
ΔvapH	[38.26; 47.30]	kJ/mol	[328.00; 441.00]
ΔvapH	47.30 ± 0.20	kJ/mol	328.00	NIST
ΔvapH	46.20 ± 0.20	kJ/mol	343.00	NIST
ΔvapH	45.10 ± 0.20	kJ/mol	358.00	NIST
ΔvapH	39.12	kJ/mol	441.00	KDB
ΔvapH	38.26	kJ/mol	441.00	NIST
n0	1.41030		298.15	KDB
ΔfusS	99.20	J/mol×K	188.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[323.99; 469.90]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45072e+01
Coefficient B			-3.79773e+03
Coefficient C			-5.69090e+01
Temperature range, min.			323.99
Temperature range, max.			469.90
Pvap	1.33	kPa	323.99	Calculated Property
Pvap	3.01	kPa	340.20	Calculated Property
Pvap	6.22	kPa	356.41	Calculated Property
Pvap	11.92	kPa	372.63	Calculated Property
Pvap	21.45	kPa	388.84	Calculated Property
Pvap	36.55	kPa	405.05	Calculated Property
Pvap	59.38	kPa	421.26	Calculated Property
Pvap	92.58	kPa	437.48	Calculated Property
Pvap	139.18	kPa	453.69	Calculated Property
Pvap	202.66	kPa	469.90	Calculated Property
Pvap	[5.74e-07; 2188.73]	kPa	[188.35; 613.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.11505e+02
Coefficient B			-9.76977e+03
Coefficient C			-1.41847e+01
Coefficient D			8.42650e-06
Temperature range, min.			188.35
Temperature range, max.			613.00
Pvap	5.74e-07	kPa	188.35	Calculated Property
Pvap	9.29e-04	kPa	235.53	Calculated Property
Pvap	0.09	kPa	282.72	Calculated Property
Pvap	1.74	kPa	329.90	Calculated Property
Pvap	14.07	kPa	377.08	Calculated Property
Pvap	64.82	kPa	424.27	Calculated Property
Pvap	207.81	kPa	471.45	Calculated Property
Pvap	524.56	kPa	518.63	Calculated Property
Pvap	1129.44	kPa	565.82	Calculated Property
Pvap	2188.73	kPa	613.00	Calculated Property

Similar Compounds

Find more compounds similar to Nonane, 3-methyl-.

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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