Chemical Properties of Acetic acid, pentyl ester (CAS 628-63-7)

InChI

InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3

InChI Key

PGMYKACGEOXYJE-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

CCCCCOC(C)=O

Molecular Weight¹

130.18

CAS

628-63-7

Other Names

• 1-Acetoxypentane
• 1-Pentanol acetate
• 1-Pentyl acetate
• Acetate d'amyle
• Acetic acid n-amyl ester
• Acetic acid pentyl ester
• Acetic acid, amyl ester
• Acetic acid, n-pentyl ester
• Amyl acetic ether
• Amylazetat
• Amylester kyseliny octove
• Banana oil
• Birnenoel
• NSC 7923
• Octan amylu
• Pear oil
• Pent-acetate
• Pent-acetate 28
• Pentyl ester of acetic acid
• Primary amyl acetate
• acetic acid, n-amyl ester
• amyl acetate
• amyl acetic ester
• ethanoic acid, pentyl ester
• n-Pentyl ethanoate
• n-amyl acetate
• n-pentyl acetate
• pentyl acetate
• pentyl ethanoate

• ω : Acentric Factor.
• T_ig : Autoignition Temperature (K).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• ε_r : Dielectric Constant (Relative permittivity).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety Rating.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.4139; 0.4515]
ω	0.4515		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4139		ChemSep v8.3 pure component data Compiled value
Tig	633.15	K	NCMS SOLV-DB
ΔcH°liquid	-4372.13	kJ/mol	NIST
μ	1.93	debye	ChemSep v8.3 pure component data Compiled value
εr	4.75		NCMS SOLV-DB
Tflash,cc	289.15	K	NCMS SOLV-DB
ΔfG°	-303.50	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-505.50	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	18.25	kJ/mol	Joback Calculated Property
ΔvapH°	[41.00; 48.60]	kJ/mol
ΔvapH°	41.00	kJ/mol	NCMS SOLV-DB
ΔvapH°	48.60 ± 0.40	kJ/mol	NIST
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	[-1.89; -1.89]
log10WS	-1.89		Aq. Solubility Prediction
log10WS	-1.89		Estimated Solubility
logPoct/wat	2.340		NCMS SOLV-DB
McVol	116.930	ml/mol	McGowan Calculated Property
NFPA Fire	[%!d(float64=1); %!d(float64=3)]
NFPA Fire	1		KDB
NFPA Fire	3		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	[2664.85; 2800.00]	kPa
Pc	2730.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	2664.85	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2800.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2685.00 ± 150.00	kPa	NIST
Pc	2770.00 ± 20.00	kPa	NIST
Ptriple	1.86e-05	kPa	ChemSep v8.3 pure component data Compiled value
ρc	277.42 ± 11.98	kg/m3	NIST
Inp	[848.00; 928.00]
Inp	896.40		NIST
Inp	887.63		NIST
Inp	908.68		NIST
Inp	867.00		NIST
Inp	910.30		NIST
Inp	909.30		NIST
Inp	907.60		NIST
Inp	885.00		NIST
Inp	867.00		NIST
Inp	879.00		NIST
Inp	912.00		NIST
Inp	912.00		NIST
Inp	896.50		NIST
Inp	Outlier 856.00		NIST
Inp	868.00		NIST
Inp	Outlier 855.00		NIST
Inp	891.00		NIST
Inp	891.00		NIST
Inp	893.00		NIST
Inp	Outlier 848.00		NIST
Inp	899.00		NIST
Inp	898.00		NIST
Inp	Outlier 855.00		NIST
Inp	Outlier 856.00		NIST
Inp	866.00		NIST
Inp	893.00		NIST
Inp	899.00		NIST
Inp	895.00		NIST
Inp	898.00		NIST
Inp	898.00		NIST
Inp	895.00		NIST
Inp	898.00		NIST
Inp	903.00		NIST
Inp	905.00		NIST
Inp	919.00		NIST
Inp	891.00		NIST
Inp	Outlier 859.00		NIST
Inp	916.00		NIST
Inp	904.00		NIST
Inp	916.00		NIST
Inp	914.00		NIST
Inp	893.00		NIST
Inp	926.00		NIST
Inp	928.00		NIST
Inp	893.00		NIST
Inp	917.00		NIST
Inp	892.00		NIST
Inp	918.00		NIST
Inp	896.00		NIST
Inp	912.00		NIST
Inp	916.00		NIST
Inp	906.00		NIST
Inp	913.00		NIST
Inp	893.00		NIST
Inp	895.00		NIST
Inp	905.00		NIST
Inp	880.00		NIST
Inp	893.00		NIST
Inp	893.00		NIST
Inp	915.00		NIST
Inp	910.00		NIST
Inp	Outlier 859.00		NIST
Inp	897.00		NIST
Inp	911.00		NIST
Inp	890.00		NIST
Inp	894.00		NIST
Inp	895.00		NIST
Inp	897.00		NIST
Inp	896.00		NIST
Inp	896.00		NIST
Inp	895.00		NIST
Inp	916.00		NIST
Inp	916.00		NIST
Inp	914.00		NIST
Inp	891.00		NIST
Inp	906.00		NIST
Inp	891.00		NIST
Inp	891.00		NIST
Inp	919.00		NIST
Inp	895.00		NIST
Inp	904.00		NIST
Inp	891.00		NIST
Inp	912.00		NIST
Inp	916.00		NIST
Inp	918.00		NIST
Inp	895.00		NIST
Inp	891.00		NIST
Inp	896.00		NIST
Inp	897.00		NIST
Inp	892.00		NIST
Inp	892.00		NIST
Inp	895.00		NIST
Inp	895.00		NIST
Inp	895.00		NIST
Inp	898.00		NIST
Inp	912.00		NIST
Inp	880.00		NIST
Inp	Outlier 859.00		NIST
Inp	895.00		NIST
Inp	893.00		NIST
Inp	892.00		NIST
Ip	[1150.00; 1222.00]
Ip	1195.00		NIST
Ip	1182.00		NIST
Ip	Outlier 1212.00		NIST
Ip	1168.00		NIST
Ip	1182.00		NIST
Ip	1177.00		NIST
Ip	1175.00		NIST
Ip	1177.00		NIST
Ip	1196.00		NIST
Ip	1170.00		NIST
Ip	1160.00		NIST
Ip	1183.00		NIST
Ip	1152.00		NIST
Ip	1176.00		NIST
Ip	1193.00		NIST
Ip	1175.00		NIST
Ip	1169.00		NIST
Ip	1161.00		NIST
Ip	1167.00		NIST
Ip	1176.00		NIST
Ip	1179.00		NIST
Ip	1181.00		NIST
Ip	1167.00		NIST
Ip	1152.00		NIST
Ip	1169.00		NIST
Ip	1180.00		NIST
Ip	1176.00		NIST
Ip	Outlier 1204.00		NIST
Ip	1162.00		NIST
Ip	1192.00		NIST
Ip	1169.00		NIST
Ip	1150.00		NIST
Ip	1161.00		NIST
Ip	1185.00		NIST
Ip	1176.00		NIST
Ip	1161.00		NIST
Ip	1173.00		NIST
Ip	1172.00		NIST
Ip	1167.00		NIST
Ip	1177.00		NIST
Ip	1180.00		NIST
Ip	1161.00		NIST
Ip	1174.00		NIST
Ip	1174.00		NIST
Ip	Outlier 1222.00		NIST
Ip	1161.00		NIST
Ip	1159.00		NIST
Ip	1159.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1174.00		NIST
Ip	1185.00		NIST
Ip	1183.00		NIST
Ip	1180.00		NIST
Ip	1161.00		NIST
Ip	1183.00		NIST
Ip	1183.00		NIST
Ip	1177.00		NIST
Ip	1194.00		NIST
Ip	1194.00		NIST
Ip	1194.00		NIST
Ip	1161.00		NIST
Ip	1169.00		NIST
Ip	1182.00		NIST
Ip	1152.00		NIST
Ip	1161.00		NIST
Ip	1167.00		NIST
Ip	1195.00		NIST
Ip	1150.00		NIST
Ip	1173.00		NIST
Ip	1180.00		NIST
Tboil	[398.15; 423.00]	K
Tboil	422.25	K	Quaternary phase equilibrium of water-carboxylic acid mixture (formic-propionic acid or acetic-propionic acid)-solvent liquid systems at 298.15 K
Tboil	422.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	422.40	K	NCMS SOLV-DB
Tboil	418.70	K	NIST
Tboil	422.40	K	NIST
Tboil	421.00	K	NIST
Tboil	420.40 ± 0.50	K	NIST
Tboil	421.00 ± 2.00	K	NIST
Tboil	422.10 ± 1.00	K	NIST
Tboil	422.20 ± 1.50	K	NIST
Tboil	420.00 ± 3.00	K	NIST
Tboil	422.40 ± 1.00	K	NIST
Tboil	423.00 ± 4.00	K	NIST
Tboil	422.00 ± 1.50	K	NIST
Tboil	417.15 ± 1.00	K	NIST
Tboil	422.70 ± 0.20	K	NIST
Tboil	422.35 ± 1.00	K	NIST
Tboil	422.10 ± 1.00	K	NIST
Tboil	421.85 ± 0.30	K	NIST
Tboil	421.15 ± 1.00	K	NIST
Tboil	421.00 ± 2.00	K	NIST
Tboil	411.15 ± 1.00	K	NIST
Tboil	422.40 ± 1.00	K	NIST
Tboil	421.55 ± 1.00	K	NIST
Tboil	410.70 ± 0.50	K	NIST
Tboil	413.80 ± 1.50	K	NIST
Tboil	420.80 ± 1.50	K	NIST
Tboil	Outlier 398.15 ± 3.00	K	NIST
Tc	[597.80; 605.15]	K
Tc	599.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	597.80	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	605.15	K	ChemSep v8.3 pure component data Compiled value
Tc	600.00 ± 2.00	K	NIST
Tc	599.90 ± 0.60	K	NIST
Tfus	[173.15; 202.35]	K
Tfus	173.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	202.35	K	ChemSep v8.3 pure component data Compiled value
Tfus	182.88	K	Aq. Solubility Prediction
Tfus	202.35	K	NCMS SOLV-DB
Tfus	202.35 ± 0.30	K	NIST
Ttriple	202.35	K	ChemSep v8.3 pure component data Compiled value
UQi	4.74		ChemSep v8.3 pure component data Compiled value
URi	5.50		ChemSep v8.3 pure component data Compiled value
Vc	[0.442; 0.470]	m3/kmol
Vc	0.470	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.469	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.442	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	[0.2450000; 0.2580000]
Zc	0.2580000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc	0.2450000		ChemSep v8.3 pure component data Compiled value
Zra	0.24		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	276.10	J/mol×K	304.00	NIST
η	0.0008620	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	43.20	kJ/mol	376.00	NIST
Pvap	[0.09; 79.99]	kPa	[274.20; 414.20]
Pvap	0.09	kPa	274.20	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.09	kPa	274.30	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.10	kPa	275.60	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.10	kPa	275.60	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.11	kPa	278.20	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.14	kPa	280.80	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.17	kPa	283.20	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.24	kPa	288.20	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.34	kPa	293.30	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.47	kPa	298.15	NCMS SOLV-DB
Pvap	0.48	kPa	298.40	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.66	kPa	303.30	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.81	kPa	306.70	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	0.90	kPa	308.20	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	1.03	kPa	310.60	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	1.22	kPa	313.40	Vapour pressures and enthalpies of vaporization of aliphatic esters
Pvap	26.66	kPa	380.05	Isobaric Vapor-Liquid Equilibria of the Ternary System Toluene + Ethylbenzene + Amyl Acetate
Pvap	53.33	kPa	400.72	Isobaric Vapor-Liquid Equilibria of the Ternary System Toluene + Ethylbenzene + Amyl Acetate
Pvap	79.99	kPa	414.20	Isobaric Vapor-Liquid Equilibria of the Ternary System Toluene + Ethylbenzene + Amyl Acetate
n0	[1.39100; 1.40300]		[293.13; 318.15]
n0	1.40270		293.13	Isobaric Vapor-Liquid Equilibria of the Ternary System Pentan-1-ol + Pentyl Acetate + Nonane
n0	1.40260		293.15	Phase equilibria of water + 1-propanol + solvent (n-amyl acetate, cyclohexanol, and cyclohexyl acetate) at T = 298.2K
n0	1.40210		293.15	Isobaric Vapor-Liquid Equilibria for Water + Acetic Acid + (n-Pentyl Acetate or Isopropyl Acetate)
n0	1.39990		298.15	Isobaric Vapor-Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Methyl Acetate, n-Propyl Acetate, or Amyl Acetate at 100.17 kPa
n0	1.40050		298.15	Isobaric Vapor-Liquid Equilibrium for Binary Mixtures of 3-Methyl-1-butanol + 3-Methyl-1-butyl Ethanoate and 1-Pentanol + Pentyl Ethanoate at 101.3 kPa
n0	1.40300		298.15	NCMS SOLV-DB
n0	1.39910		298.20	Experimental and correlated liquid-liquid equilibrium data for water-phosphoric acid-ester
n0	1.39610		303.15	Densities, speeds of sound, isentropic compressibilities, refractive indexes, and viscosities of tetrahydrofuran with haloalkane or alkyl ethanoate at T = 303.15 K
n0	1.39100		318.15	Thermodynamic properties of (an ester + an alkane). XVI. Experimental HEm and V Em values and a new correlation method for (an alkyl ethanoate + an n-alkane) at 318.15 K
ρl	[855.36; 876.25]	kg/m3	[293.15; 313.15]
ρl	876.25	kg/m3	293.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	870.17	kg/m3	298.15	Experimental and theoretical study of surface tension of binary mixtures of (n-alkyl acetates + heptane, benzene, and toluene)
ρl	871.32	kg/m3	298.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	870.17	kg/m3	298.15	Surface Tension and Surface Properties of Binary Mixtures of 1,4-Dioxane or N,N-Dimethyl Formamide with n-Alkyl Acetates
ρl	865.78	kg/m3	303.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	860.58	kg/m3	308.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
ρl	855.36	kg/m3	313.15	Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
γ	0.03	N/m	298.15	NCMS SOLV-DB

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
298.15	100.00	871.4
298.15	1000.00	871.9
298.15	2000.00	872.7
298.15	2700.00	873.3
298.15	3000.00	873.5
298.15	5000.00	875.3
298.15	10000.00	879.1
298.15	15000.00	882.7
298.15	20000.00	886.2
298.15	25000.00	889.6
298.15	30000.00	893.6
298.15	35000.00	897.9
303.15	100.00	866.5
303.15	1000.00	867.1
303.15	2000.00	867.9
303.15	2700.00	868.5
303.15	3000.00	868.7
303.15	5000.00	870.5
303.15	10000.00	874.4
303.15	15000.00	878.1
303.15	20000.00	881.6
303.15	25000.00	885.1
303.15	30000.00	889.4
303.15	35000.00	893.8
308.15	100.00	861.6
308.15	1000.00	862.2
308.15	2000.00	863.1
308.15	2700.00	863.7
308.15	3000.00	863.9
308.15	5000.00	865.8
308.15	10000.00	869.8
308.15	15000.00	873.6
308.15	20000.00	877.3
308.15	25000.00	880.8
308.15	30000.00	885.2
308.15	35000.00	889.7
313.15	100.00	856.7
313.15	1000.00	857.4
313.15	2000.00	858.3
313.15	2700.00	858.9
313.15	3000.00	859.2
313.15	5000.00	861.0
313.15	10000.00	865.2
313.15	15000.00	869.0
313.15	20000.00	872.8
313.15	25000.00	876.4
313.15	30000.00	880.9
313.15	35000.00	885.5
318.15	100.00	851.9
318.15	1000.00	852.6
318.15	2000.00	853.5
318.15	2700.00	854.2
318.15	3000.00	854.4
318.15	5000.00	856.4
318.15	10000.00	860.7
318.15	15000.00	864.7
318.15	20000.00	868.5
318.15	25000.00	872.3
318.15	30000.00	876.9
318.15	35000.00	881.7
323.15	100.00	847.1
323.15	1000.00	847.7
323.15	2000.00	848.7
323.15	2700.00	849.3
323.15	3000.00	849.6
323.15	5000.00	851.7
323.15	10000.00	856.1
323.15	15000.00	860.2
323.15	20000.00	864.2
323.15	25000.00	868.1
323.15	30000.00	872.8
323.15	35000.00	877.6
328.15	100.00	842.3
328.15	1000.00	843.2
328.15	2000.00	844.4
328.15	2700.00	845.2
328.15	3000.00	845.5
328.15	5000.00	847.1
328.15	10000.00	851.6
328.15	15000.00	855.9
328.15	20000.00	860.0
328.15	25000.00	864.1
328.15	30000.00	869.0
328.15	35000.00	874.0
333.15	100.00	837.8
333.15	1000.00	838.7
333.15	2000.00	839.8
333.15	2700.00	840.5
333.15	3000.00	840.8
333.15	5000.00	842.7
333.15	10000.00	847.4
333.15	15000.00	851.8
333.15	20000.00	856.0
333.15	25000.00	860.1
333.15	30000.00	865.1
333.15	35000.00	870.2
338.15	100.00	832.9
338.15	1000.00	834.0
338.15	2000.00	835.1
338.15	2700.00	835.8
338.15	3000.00	836.1
338.15	5000.00	838.1
338.15	10000.00	842.9
338.15	15000.00	847.5
338.15	20000.00	851.9
338.15	25000.00	856.2
338.15	30000.00	861.3
338.15	35000.00	866.5
343.15	100.00	828.3
343.15	1000.00	829.3
343.15	2000.00	830.4
343.15	2700.00	831.2
343.15	3000.00	831.5
343.15	5000.00	833.5
343.15	10000.00	838.5
343.15	15000.00	843.2
343.15	20000.00	847.7
343.15	25000.00	852.1
343.15	30000.00	857.3
343.15	35000.00	862.7
348.15	100.00	823.2
348.15	1000.00	824.6
348.15	2000.00	825.7
348.15	2700.00	826.5
348.15	3000.00	826.9
348.15	5000.00	828.8
348.15	10000.00	834.0
348.15	15000.00	838.9
348.15	20000.00	843.5
348.15	25000.00	847.9
348.15	30000.00	853.3
348.15	35000.00	858.8
353.15	100.00	818.7
353.15	1000.00	819.9
353.15	2000.00	821.1
353.15	2700.00	821.9
353.15	3000.00	822.3
353.15	5000.00	824.4
353.15	10000.00	829.8
353.15	15000.00	835.0
353.15	20000.00	839.7
353.15	25000.00	844.3
353.15	30000.00	849.8
353.15	35000.00	855.4
358.15	100.00	811.3
358.15	1000.00	812.2
358.15	2000.00	813.4
358.15	2700.00	814.1
358.15	3000.00	814.5
358.15	5000.00	816.9
358.15	10000.00	822.5
358.15	15000.00	827.7
358.15	20000.00	832.5
358.15	25000.00	838.0
358.15	30000.00	843.9
358.15	35000.00	849.7
363.15	100.00	806.3
363.15	1000.00	807.4
363.15	2000.00	808.7
363.15	2700.00	809.6
363.15	3000.00	809.9
363.15	5000.00	812.4
363.15	10000.00	818.1
363.15	15000.00	823.4
363.15	20000.00	828.3
363.15	25000.00	833.9
363.15	30000.00	839.9
363.15	35000.00	845.6
368.15	100.00	801.2
368.15	1000.00	802.3
368.15	2000.00	803.7
368.15	2700.00	804.6
368.15	3000.00	805.0
368.15	5000.00	807.5
368.15	10000.00	813.4
368.15	15000.00	818.8
368.15	20000.00	824.0
368.15	25000.00	829.8
368.15	30000.00	835.9
368.15	35000.00	841.4
373.15	100.00	795.5
373.15	1000.00	796.4
373.15	2000.00	797.7
373.15	2700.00	799.5
373.15	3000.00	799.0
373.15	5000.00	802.5
373.15	10000.00	808.2
373.15	15000.00	813.9
373.15	20000.00	819.8
373.15	25000.00	826.3
373.15	30000.00	831.3
378.15	100.00	790.4
378.15	1000.00	791.6
378.15	2000.00	793.1
378.15	2700.00	794.0
378.15	3000.00	794.4
378.15	5000.00	797.1
378.15	10000.00	803.5
383.15	100.00	786.8
383.15	1000.00	788.1
383.15	2000.00	789.6
383.15	2700.00	790.7
383.15	3000.00	791.1
383.15	5000.00	793.9
383.15	10000.00	800.5
383.15	15000.00	806.6
383.15	20000.00	811.7
383.15	25000.00	816.5
383.15	30000.00	824.0
383.15	35000.00	830.0
388.15	100.00	781.9
388.15	1000.00	783.4
388.15	2000.00	785.0
388.15	2700.00	786.0
388.15	3000.00	786.5
388.15	5000.00	789.4
388.15	10000.00	796.3
388.15	15000.00	802.5
388.15	20000.00	808.1
388.15	25000.00	813.7
388.15	30000.00	819.7
388.15	35000.00	826.2
393.15	100.00	777.2
393.15	1000.00	778.7
393.15	2000.00	780.3
393.15	2700.00	781.4
393.15	3000.00	781.9
393.15	5000.00	784.9
393.15	10000.00	791.9
393.15	15000.00	798.4
393.15	20000.00	803.9
393.15	25000.00	809.7
393.15	30000.00	815.7
393.15	35000.00	822.2
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.73; 415.36]	J/mol×K	[273.00; 1200.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.74330e+01
Coefficient B			-3.39240e+02
Coefficient C			5.84824e+00
Coefficient D			5.47600e-04
Coefficient E			-2.18620e-07
Temperature range, min.			273.00
Temperature range, max.			1200.15
Cp,gas	161.73	J/mol×K	273.00	Calculated Property
Cp,gas	214.94	J/mol×K	376.02	Calculated Property
Cp,gas	258.51	J/mol×K	479.03	Calculated Property
Cp,gas	294.60	J/mol×K	582.05	Calculated Property
Cp,gas	324.87	J/mol×K	685.07	Calculated Property
Cp,gas	350.38	J/mol×K	788.08	Calculated Property
Cp,gas	371.81	J/mol×K	891.10	Calculated Property
Cp,gas	389.61	J/mol×K	994.12	Calculated Property
Cp,gas	404.05	J/mol×K	1097.13	Calculated Property
Cp,gas	415.36	J/mol×K	1200.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[218.13; 316.91]	J/mol×K	[209.30; 439.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.62580e+02
Coefficient B			8.00920e+01
Coefficient C			1.64334e+00
Coefficient D			1.15130e-02
Coefficient E			-9.55230e-06
Temperature range, min.			209.30
Temperature range, max.			439.00
Cp,liquid	218.13	J/mol×K	209.30	Calculated Property
Cp,liquid	226.73	J/mol×K	234.82	Calculated Property
Cp,liquid	236.34	J/mol×K	260.34	Calculated Property
Cp,liquid	246.86	J/mol×K	285.87	Calculated Property
Cp,liquid	258.10	J/mol×K	311.39	Calculated Property
Cp,liquid	269.88	J/mol×K	336.91	Calculated Property
Cp,liquid	281.95	J/mol×K	362.43	Calculated Property
Cp,liquid	294.03	J/mol×K	387.96	Calculated Property
Cp,liquid	305.79	J/mol×K	413.48	Calculated Property
Cp,liquid	316.91	J/mol×K	439.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065789; 0.0000690]	Pa×s	[202.35; 573.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.43760e+01
Coefficient B			1.66130e+03
Coefficient C			2.13780e+00
Coefficient D			-5.11980e-06
Coefficient E			2.00000e+00
Temperature range, min.			202.35
Temperature range, max.			573.00
η	0.0065789	Pa×s	202.35	Calculated Property
η	0.0022200	Pa×s	243.53	Calculated Property
η	0.0010340	Pa×s	284.72	Calculated Property
η	0.0005805	Pa×s	325.90	Calculated Property
η	0.0003651	Pa×s	367.08	Calculated Property
η	0.0002466	Pa×s	408.27	Calculated Property
η	0.0001740	Pa×s	449.45	Calculated Property
η	0.0001262	Pa×s	490.63	Calculated Property
η	0.0000930	Pa×s	531.82	Calculated Property
η	0.0000690	Pa×s	573.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[56.40; 8.60]	kJ/mol	[202.35; 599.90]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			7.88391e+01
Coefficient B			9.46213e-01
Coefficient C			-1.71734e-01
Coefficient D			-7.30153e-01
Coefficient E			4.19139e-01
Critical temperature, Tc (K)			6.05150e+02
Temperature range, min.			202.35
Temperature range, max.			599.90
ΔvapH	56.40	kJ/mol	202.35	Calculated Property
ΔvapH	52.33	kJ/mol	246.52	Calculated Property
ΔvapH	48.51	kJ/mol	290.69	Calculated Property
ΔvapH	44.89	kJ/mol	334.87	Calculated Property
ΔvapH	41.36	kJ/mol	379.04	Calculated Property
ΔvapH	37.77	kJ/mol	423.21	Calculated Property
ΔvapH	33.86	kJ/mol	467.38	Calculated Property
ΔvapH	29.18	kJ/mol	511.56	Calculated Property
ΔvapH	22.68	kJ/mol	555.73	Calculated Property
ΔvapH	8.60	kJ/mol	599.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[316.02; 444.97]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53552e+01
Coefficient B			-3.88429e+03
Coefficient C			-5.82300e+01
Temperature range, min.			316.02
Temperature range, max.			444.97
Pvap	1.33	kPa	316.02	Calculated Property
Pvap	2.95	kPa	330.35	Calculated Property
Pvap	6.02	kPa	344.68	Calculated Property
Pvap	11.48	kPa	359.00	Calculated Property
Pvap	20.66	kPa	373.33	Calculated Property
Pvap	35.31	kPa	387.66	Calculated Property
Pvap	57.72	kPa	401.99	Calculated Property
Pvap	90.72	kPa	416.31	Calculated Property
Pvap	137.71	kPa	430.64	Calculated Property
Pvap	202.66	kPa	444.97	Calculated Property
Pvap	[3.04e-05; 2800.00]	kPa	[202.35; 596.35]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.61814e+02
Coefficient B			-1.12296e+04
Coefficient C			-2.21173e+01
Coefficient D			1.77213e-05
Coefficient E			2.00000e+00
Comment			Range stopped where the equation exceeds Pc; ChemSep gives it to 600 K.
Temperature range, min.			202.35
Temperature range, max.			596.35
Pvap	3.04e-05	kPa	202.35	Calculated Property
Pvap	0.01	kPa	246.13	Calculated Property
Pvap	0.44	kPa	289.91	Calculated Property
Pvap	5.09	kPa	333.68	Calculated Property
Pvap	28.67	kPa	377.46	Calculated Property
Pvap	103.56	kPa	421.24	Calculated Property
Pvap	284.48	kPa	465.02	Calculated Property
Pvap	661.19	kPa	508.80	Calculated Property
Pvap	1394.76	kPa	552.58	Calculated Property
Pvap	2800.00	kPa	596.35	Calculated Property
Pvap	[2.28e-05; 2719.53]	kPa	[202.35; 598.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.62684e+01
Coefficient B			-8.63027e+03
Coefficient C			-1.02643e+01
Coefficient D			4.74624e-06
Coefficient E			0.00000e+00
Temperature range, min.			202.35
Temperature range, max.			598.00
Pvap	2.28e-05	kPa	202.35	Calculated Property
Pvap	6.72e-03	kPa	246.31	Calculated Property
Pvap	0.28	kPa	290.27	Calculated Property
Pvap	3.76	kPa	334.23	Calculated Property
Pvap	24.65	kPa	378.19	Calculated Property
Pvap	101.45	kPa	422.16	Calculated Property
Pvap	303.74	kPa	466.12	Calculated Property
Pvap	728.14	kPa	510.08	Calculated Property
Pvap	1489.89	kPa	554.04	Calculated Property
Pvap	2719.53	kPa	598.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[951.11; 343.58]	kg/m3	[202.35; 599.90]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			1.64137e+01
Coefficient B			1.22520e-01
Coefficient C			6.05150e+02
Coefficient D			1.68860e-01
Temperature range, min.			202.35
Temperature range, max.			599.90
ρl	951.11	kg/m3	202.35	Calculated Property
ρl	915.58	kg/m3	246.52	Calculated Property
ρl	877.75	kg/m3	290.69	Calculated Property
ρl	837.09	kg/m3	334.87	Calculated Property
ρl	792.77	kg/m3	379.04	Calculated Property
ρl	743.57	kg/m3	423.21	Calculated Property
ρl	687.35	kg/m3	467.38	Calculated Property
ρl	619.87	kg/m3	511.56	Calculated Property
ρl	530.02	kg/m3	555.73	Calculated Property
ρl	343.58	kg/m3	599.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[202.35; 422.35]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.48111e-02
Coefficient B			-9.94000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			202.35
Temperature range, max.			422.35
γ	0.03	N/m	202.35	Calculated Property
γ	0.03	N/m	226.79	Calculated Property
γ	0.03	N/m	251.24	Calculated Property
γ	0.03	N/m	275.68	Calculated Property
γ	0.02	N/m	300.13	Calculated Property
γ	0.02	N/m	324.57	Calculated Property
γ	0.02	N/m	349.02	Calculated Property
γ	0.02	N/m	373.46	Calculated Property
γ	0.02	N/m	397.91	Calculated Property
γ	0.01	N/m	422.35	Calculated Property
γ	[0.04; 1.53e-05]	N/m	[202.35; 599.10]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.27570e-02
Coefficient B			4.92330e+01
Coefficient C			-3.15350e+00
Coefficient D			2.47020e-04
Coefficient E			-4.00400e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 599.9 K.
Temperature range, min.			202.35
Temperature range, max.			599.10
γ	0.04	N/m	202.35	Calculated Property
γ	0.03	N/m	246.43	Calculated Property
γ	0.03	N/m	290.52	Calculated Property
γ	0.02	N/m	334.60	Calculated Property
γ	0.02	N/m	378.69	Calculated Property
γ	0.01	N/m	422.77	Calculated Property
γ	0.01	N/m	466.85	Calculated Property
γ	0.01	N/m	510.94	Calculated Property
γ	0.00	N/m	555.02	Calculated Property
γ	1.53e-05	N/m	599.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.12]	W/m×K	[202.35; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			-1.48270e-02
Coefficient B			4.77040e-01
Coefficient C			-3.33740e+03
Coefficient D			-1.00330e+06
Temperature range, min.			202.35
Temperature range, max.			1000.00
λgas	0.00	W/m×K	202.35	Calculated Property
λgas	0.01	W/m×K	290.98	Calculated Property
λgas	0.02	W/m×K	379.61	Calculated Property
λgas	0.03	W/m×K	468.23	Calculated Property
λgas	0.04	W/m×K	556.86	Calculated Property
λgas	0.05	W/m×K	645.49	Calculated Property
λgas	0.06	W/m×K	734.12	Calculated Property
λgas	0.08	W/m×K	822.74	Calculated Property
λgas	0.10	W/m×K	911.37	Calculated Property
λgas	0.12	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.09]	W/m×K	[179.40; 469.40]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-8.34600e-02
Coefficient B			4.48550e+00
Coefficient C			-1.28660e+00
Coefficient D			-6.42820e-04
Coefficient E			-6.62620e-07
Temperature range, min.			179.40
Temperature range, max.			469.40
λliquid	0.16	W/m×K	179.40	Calculated Property
λliquid	0.16	W/m×K	211.62	Calculated Property
λliquid	0.15	W/m×K	243.84	Calculated Property
λliquid	0.14	W/m×K	276.07	Calculated Property
λliquid	0.13	W/m×K	308.29	Calculated Property
λliquid	0.12	W/m×K	340.51	Calculated Property
λliquid	0.12	W/m×K	372.73	Calculated Property
λliquid	0.11	W/m×K	404.96	Calculated Property
λliquid	0.10	W/m×K	437.18	Calculated Property
λliquid	0.09	W/m×K	469.40	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, pentyl ester.

Mixtures

• Acetic acid, pentyl ester + Water
• 1-Propanol + Acetic acid, pentyl ester + Water
• Acetic acid, pentyl ester + Heptane
• Acetic acid, pentyl ester + Nonane
• Undecane + Acetic acid, pentyl ester
• Acetic acid, pentyl ester + Tridecane
• Acetic acid, pentyl ester + Pentadecane
• Heptadecane + Acetic acid, pentyl ester
• Acetic acid, pentyl ester + Acetic acid + Water
• Acetic acid, pentyl ester + 1-Pentanol + Water
• Acetic acid, pentyl ester + Tetrahydrofuran
• Acetic acid, pentyl ester + Pyridine
• Acetic acid, pentyl ester + Water + Phosphoric Acid
• n-Hexane + Acetic acid, pentyl ester
• Acetic acid, pentyl ester + Octane
• Acetic acid, pentyl ester + Decane
• Acetic acid, pentyl ester + Cyclohexane
• 1-Hexene + Acetic acid, pentyl ester
• Acetic acid, pentyl ester + 1-Heptene
• Acetic acid, pentyl ester + Cyclohexene

Find more mixtures with Acetic acid, pentyl ester.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Phase equilibria of water + 1-propanol + solvent (n-amyl acetate, cyclohexanol, and cyclohexyl acetate) at T = 298.2K
• Quaternary phase equilibrium of water-carboxylic acid mixture (formic-propionic acid or acetic-propionic acid)-solvent liquid systems at 298.15 K
• Vapour pressures and enthalpies of vaporization of aliphatic esters
• Abraham model linear free energy relationships for describing the partitioning and solubility behavior of nonelectrolyte organic solutes dissolved in pyridine at 298.15 K
• Solubility, liquid-liquid equilibrium and critical states for quaternary system acetic acid - n-amyl alcohol - n-amyl acetate - water at 303.15 K and atmospheric pressure
• Thermodynamic properties of (an ester + an alkane). XVI. Experimental HEm and V Em values and a new correlation method for (an alkyl ethanoate + an n-alkane) at 318.15 K
• Experimental and theoretical study of surface tension of binary mixtures of (n-alkyl acetates + heptane, benzene, and toluene)
• Experimental and correlated liquid-liquid equilibrium data for water-phosphoric acid-ester
• Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
• Densities, speeds of sound, isentropic compressibilities, refractive indexes, and viscosities of tetrahydrofuran with haloalkane or alkyl ethanoate at T = 303.15 K
• Solubility Measurement and Thermodynamic Modeling of Benzoic Acid in Monosolvents and Binary Mixtures
• Volumetric and FT-IR Studies of the Binary Liquid Mixtures of Tributylamine and Alkyl Ester (C1-C5)
• Isobaric Vapor-Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Methyl Acetate, n-Propyl Acetate, or Amyl Acetate at 100.17 kPa
• Solubility and Thermodynamic Modeling of Dimethyl Terephthalate in Pure Solvents and the Evaluation of the Mixing Properties of the Solutions
• Isobaric Vapor-Liquid Equilibria of the Ternary System Toluene + Ethylbenzene + Amyl Acetate
• Isobaric Vapor-Liquid Equilibria for Water + Acetic Acid + (n-Pentyl Acetate or Isopropyl Acetate)
• PVT Property Measurements for Some Aliphatic Esters from (298 to 393) K and up to 35 MPa
• Isobaric Vapor-Liquid Equilibria of the Ternary System Pentan-1-ol + Pentyl Acetate + Nonane
• Liquid-Liquid Equilibria for the Acetic Acid + Water + Amyl Acetate and Acetic Acid + Water + 2-Methyl Ethyl Acetate Ternary Systems
• Surface Tension and Surface Properties of Binary Mixtures of 1,4-Dioxane or N,N-Dimethyl Formamide with n-Alkyl Acetates
• Isobaric Vapor-Liquid Equilibrium for Binary Mixtures of 3-Methyl-1-butanol + 3-Methyl-1-butyl Ethanoate and 1-Pentanol + Pentyl Ethanoate at 101.3 kPa
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB
• The Yaws Handbook of Vapor Pressure

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