Chemical Properties of 2-Octanol, acetate (CAS 2051-50-5)

InChI

InChI=1S/C10H20O2/c1-4-5-6-7-8-9(2)12-10(3)11/h9H,4-8H2,1-3H3

InChI Key

SJFUDWKNZGXSLV-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCCCC(C)OC(C)=O

Molecular Weight¹

172.27

CAS

2051-50-5

Other Names

• 1-Methylheptyl acetate
• 2-Acetoxyoctane
• 2-Octyl acetate
• Acetic acid, oct-2-yl ester
• Capryl acetate
• NSC 65620
• Sec-octyl 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[361.91; 442.05]	J/mol×K	[486.18; 659.02]
Cp,gas	361.91	J/mol×K	486.18	Joback Calculated Property
Cp,gas	376.70	J/mol×K	514.99	Joback Calculated Property
Cp,gas	390.91	J/mol×K	543.79	Joback Calculated Property
Cp,gas	404.54	J/mol×K	572.60	Joback Calculated Property
Cp,gas	417.60	J/mol×K	601.41	Joback Calculated Property
Cp,gas	430.10	J/mol×K	630.21	Joback Calculated Property
Cp,gas	442.05	J/mol×K	659.02	Joback Calculated Property
η	[0.0001976; 0.0093278]	Pa×s	[229.79; 486.18]
η	0.0093278	Pa×s	229.79	Joback Calculated Property
η	0.0029651	Pa×s	272.52	Joback Calculated Property
η	0.0012860	Pa×s	315.25	Joback Calculated Property
η	0.0006808	Pa×s	357.99	Joback Calculated Property
η	0.0004128	Pa×s	400.72	Joback Calculated Property
η	0.0002756	Pa×s	443.45	Joback Calculated Property
η	0.0001976	Pa×s	486.18	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[354.52; 505.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47357e+01
Coefficient B			-4.09206e+03
Coefficient C			-7.12960e+01
Temperature range, min.			354.52
Temperature range, max.			505.50
Pvap	1.33	kPa	354.52	Calculated Property
Pvap	2.99	kPa	371.30	Calculated Property
Pvap	6.16	kPa	388.07	Calculated Property
Pvap	11.79	kPa	404.85	Calculated Property
Pvap	21.22	kPa	421.62	Calculated Property
Pvap	36.19	kPa	438.40	Calculated Property
Pvap	58.90	kPa	455.17	Calculated Property
Pvap	92.04	kPa	471.95	Calculated Property
Pvap	138.75	kPa	488.72	Calculated Property
Pvap	202.64	kPa	505.50	Calculated Property

Similar Compounds

Find more compounds similar to 2-Octanol, 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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