Chemical Properties of 2-Heptanol, 6-amino-2-methyl- (CAS 372-66-7)

InChI

InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3

InChI Key

LREQLEBVOXIEOM-UHFFFAOYSA-N

Formula

C8H19NO

SMILES

CC(N)CCCC(C)(C)O

Molecular Weight¹

145.24

CAS

372-66-7

Other Names

• 2-Methyl-2-hydroxy-6-aminoheptane
• 6-Amino-2-methyl-2-heptanol
• Heptaminol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.82	kJ/mol	Joback Calculated Property
ΔvapH°	70.42	kJ/mol	Relay (1.0) Calculated Property
log10WS	-0.63		Relay (1.0) Calculated Property
logPoct/wat	1.275		Crippen Calculated Property
McVol	139.430	ml/mol	McGowan Calculated Property
Inp	[1083.00; 1118.00]
Inp	1083.00		NIST
Inp	1118.00		NIST
Inp	1083.00		NIST
I	[1659.00; 1659.00]
I	1659.00		NIST
I	1659.00		NIST
Tboil	480.61	K	Relay (1.0) Calculated Property
Tc	647.42	K	Relay (1.0) Calculated Property
Tfus	302.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.45; 420.71]	J/mol×K	[543.68; 726.69]
Cp,gas	353.45	J/mol×K	543.68	Joback Calculated Property
Cp,gas	366.22	J/mol×K	574.18	Joback Calculated Property
Cp,gas	378.32	J/mol×K	604.68	Joback Calculated Property
Cp,gas	389.79	J/mol×K	635.18	Joback Calculated Property
Cp,gas	400.66	J/mol×K	665.68	Joback Calculated Property
Cp,gas	410.96	J/mol×K	696.19	Joback Calculated Property
Cp,gas	420.71	J/mol×K	726.69	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[357.92; 589.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.15423e+01
Coefficient B			-3.23212e+03
Coefficient C			-7.07400e+01
Temperature range, min.			357.92
Temperature range, max.			589.47
Pvap	1.33	kPa	357.92	Calculated Property
Pvap	3.36	kPa	383.65	Calculated Property
Pvap	7.37	kPa	409.38	Calculated Property
Pvap	14.46	kPa	435.10	Calculated Property
Pvap	25.96	kPa	460.83	Calculated Property
Pvap	43.35	kPa	486.56	Calculated Property
Pvap	68.19	kPa	512.29	Calculated Property
Pvap	102.04	kPa	538.01	Calculated Property
Pvap	146.39	kPa	563.74	Calculated Property
Pvap	202.64	kPa	589.47	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptanol, 6-amino-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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