Chemical Properties of 2-Hexanol, acetate (CAS 5953-49-1)

InChI

InChI=1S/C8H16O2/c1-4-5-6-7(2)10-8(3)9/h7H,4-6H2,1-3H3

InChI Key

RXTNIJMLAQNTEG-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

CCCCC(C)OC(C)=O

Molecular Weight¹

144.21

CAS

5953-49-1

Other Names

• 1-Methylpentyl acetate
• 2-Hexyl acetate

• 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	0.4825		Relay (1.0) Calculated Property
ΔfG°	-296.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-560.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.32	kJ/mol	Joback Calculated Property
ΔvapH°	51.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-2.06		Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2568.89	kPa	Joback Calculated Property
Inp	[923.00; 937.00]
Inp	924.00		NIST
Inp	925.00		NIST
Inp	923.00		NIST
Inp	925.00		NIST
Inp	937.00		NIST
Inp	937.00		NIST
Tboil	414.17	K	Relay (1.0) Calculated Property
Tc	597.82	K	Relay (1.0) Calculated Property
Tfus	200.69	K	Relay (1.0) Calculated Property
Vc	0.499	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.41; 344.48]	J/mol×K	[440.42; 615.93]
Cp,gas	274.41	J/mol×K	440.42	Joback Calculated Property
Cp,gas	287.29	J/mol×K	469.67	Joback Calculated Property
Cp,gas	299.68	J/mol×K	498.92	Joback Calculated Property
Cp,gas	311.59	J/mol×K	528.18	Joback Calculated Property
Cp,gas	323.02	J/mol×K	557.43	Joback Calculated Property
Cp,gas	333.99	J/mol×K	586.68	Joback Calculated Property
Cp,gas	344.48	J/mol×K	615.93	Joback Calculated Property
η	[0.0002299; 0.0103762]	Pa×s	[207.25; 440.42]
η	0.0103762	Pa×s	207.25	Joback Calculated Property
η	0.0033312	Pa×s	246.11	Joback Calculated Property
η	0.0014580	Pa×s	284.97	Joback Calculated Property
η	0.0007781	Pa×s	323.83	Joback Calculated Property
η	0.0004750	Pa×s	362.70	Joback Calculated Property
η	0.0003191	Pa×s	401.56	Joback Calculated Property
η	0.0002299	Pa×s	440.42	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[316.52; 466.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39863e+01
Coefficient B			-3.54015e+03
Coefficient C			-5.80910e+01
Temperature range, min.			316.52
Temperature range, max.			466.18
Pvap	1.33	kPa	316.52	Calculated Property
Pvap	3.05	kPa	333.15	Calculated Property
Pvap	6.36	kPa	349.78	Calculated Property
Pvap	12.23	kPa	366.41	Calculated Property
Pvap	22.01	kPa	383.04	Calculated Property
Pvap	37.41	kPa	399.66	Calculated Property
Pvap	60.53	kPa	416.29	Calculated Property
Pvap	93.85	kPa	432.92	Calculated Property
Pvap	140.17	kPa	449.55	Calculated Property
Pvap	202.63	kPa	466.18	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexanol, acetate.

Sources

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

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