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.
• I : 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	0.5660		Relay (1.0) Calculated Property
ΔfG°	-279.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-599.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.50	kJ/mol	Joback Calculated Property
ΔvapH°	60.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	2.908		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2133.46	kPa	Joback Calculated Property
Inp	[1082.00; 1147.00]
Inp	1082.00		NIST
Inp	1127.00		NIST
Inp	1147.00		NIST
Inp	1121.00		NIST
Inp	1121.00		NIST
Inp	1132.00		NIST
Inp	1117.00		NIST
Inp	1082.00		NIST
Inp	1121.00		NIST
Inp	1147.00		NIST
I	[1493.00; 1497.00]
I	1497.00		NIST
I	1493.00		NIST
I	1493.00		NIST
Tboil	452.51	K	Relay (1.0) Calculated Property
Tc	636.53	K	Relay (1.0) Calculated Property
Tfus	223.83	K	Relay (1.0) Calculated Property
Vc	0.611	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.64; 543.88]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.75250e+01
Coefficient B			9.04960e-01
Coefficient C			-4.28800e-04
Coefficient D			5.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.64	J/mol×K	273.00	Calculated Property
Cp,gas	286.23	J/mol×K	353.78	Calculated Property
Cp,gas	333.93	J/mol×K	434.56	Calculated Property
Cp,gas	376.88	J/mol×K	515.33	Calculated Property
Cp,gas	415.24	J/mol×K	596.11	Calculated Property
Cp,gas	449.18	J/mol×K	676.89	Calculated Property
Cp,gas	478.86	J/mol×K	757.67	Calculated Property
Cp,gas	504.43	J/mol×K	838.44	Calculated Property
Cp,gas	526.05	J/mol×K	919.22	Calculated Property
Cp,gas	543.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0093278; 0.0002380]	Pa×s	[229.79; 461.31]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19839e+01
Coefficient B			1.67958e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			229.79
Temperature range, max.			461.31
η	0.0093278	Pa×s	229.79	Calculated Property
η	0.0044688	Pa×s	255.51	Calculated Property
η	0.0024495	Pa×s	281.24	Calculated Property
η	0.0014850	Pa×s	306.96	Calculated Property
η	0.0009727	Pa×s	332.69	Calculated Property
η	0.0006770	Pa×s	358.41	Calculated Property
η	0.0004947	Pa×s	384.14	Calculated Property
η	0.0003760	Pa×s	409.86	Calculated Property
η	0.0002951	Pa×s	435.59	Calculated Property
η	0.0002380	Pa×s	461.31	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[354.52; 505.50]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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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