Chemical Properties of Isopropyl acetate (CAS 108-21-4)

InChI

InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

InChI Key

JMMWKPVZQRWMSS-UHFFFAOYSA-N

Formula

C5H10O2

SMILES

CC(=O)OC(C)C

Molecular Weight¹

102.13

CAS

108-21-4

Other Names

• 1-methylethyl acetate
• 1-methylethyl ethanoate
• 2-Acetoxypropane
• 2-Propyl acetate
• Acetate d'isopropyle
• Acetic acid, 2-propyl ester
• CH3COOCH(CH3)2
• Isopropile(acetato di)
• Isopropyl (acetate d')
• Isopropyl ester of acetic acid
• Isopropylacetaat
• Isopropylacetat
• Isopropylester kyseliny octove
• NSC 9295
• UN 1220
• acetic acid, 1-methylethyl ester
• acetic acid, isopropyl ester
• ethanoic acid, isopropyl ester
• isopropyl ethanoate
• sec-Propyl acetate

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• BasG : Gas basicity (kJ/mol).
• 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).
• 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_fH°_liquid : Liquid phase 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_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• λ : 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	0.5428		ChemSep v8.3 pure component data Compiled value
PAff	836.60	kJ/mol	NIST
Tig	733.15	K	NCMS SOLV-DB
BasG	805.60	kJ/mol	NIST
ΔcH°liquid	[-2879.00; -2869.80]	kJ/mol
ΔcH°liquid	-2869.80 ± 4.10	kJ/mol	NIST
ΔcH°liquid	-2879.00	kJ/mol	NIST
μ	1.75	debye	ChemSep v8.3 pure component data Compiled value
Tflash,cc	275.15	K	NCMS SOLV-DB
ΔfG°	-333.70	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[-489.70; -481.70]	kJ/mol
ΔfH°gas	-481.70	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-489.70 ± 3.70	kJ/mol	NIST
ΔfH°liquid	-526.90 ± 3.70	kJ/mol	NIST
ΔfusH°	9.55	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 37.20]	kJ/mol
ΔvapH°	37.20	kJ/mol	NCMS SOLV-DB
ΔvapH°	37.00	kJ/mol	NIST
ΔvapH°	37.20 ± 0.20	kJ/mol	NIST
ΔvapH°	37.20 ± 0.20	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
IE	[9.95; 10.08]	eV
IE	9.99 ± 0.03	eV	NIST
IE	9.95 ± 0.05	eV	NIST
IE	10.08	eV	NIST
IE	9.99 ± 0.03	eV	NIST
log10WS	[-0.55; -0.55]
log10WS	-0.55		Aq. Solubility Prediction
log10WS	-0.55		Estimated Solubility
logPoct/wat	1.280		NCMS SOLV-DB
McVol	88.750	ml/mol	McGowan Calculated Property
NFPA Fire	3		NCMS SOLV-DB
NFPA Health	1		NCMS SOLV-DB
NFPA Safety	0		NCMS SOLV-DB
Pc	[3290.00; 3495.64]	kPa
Pc	3495.64	kPa	ChemSep v8.3 pure component data Compiled value
Pc	3290.00 ± 20.00	kPa	NIST
Ptriple	3.87e-03	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[595.00; 662.00]
Inp	648.00		NIST
Inp	640.00		NIST
Inp	646.00		NIST
Inp	646.80		NIST
Inp	Outlier 596.00		NIST
Inp	643.00		NIST
Inp	Outlier 596.00		NIST
Inp	610.00		NIST
Inp	625.00		NIST
Inp	Outlier 596.00		NIST
Inp	643.00		NIST
Inp	657.00		NIST
Inp	657.10		NIST
Inp	639.00		NIST
Inp	648.00		NIST
Inp	655.00		NIST
Inp	648.00		NIST
Inp	653.00		NIST
Inp	651.00		NIST
Inp	655.00		NIST
Inp	Outlier 595.00		NIST
Inp	611.00		NIST
Inp	662.00		NIST
Inp	643.00		NIST
Inp	650.00		NIST
Inp	641.00		NIST
Inp	645.00		NIST
Inp	652.00		NIST
Inp	648.00		NIST
Inp	643.00		NIST
Inp	643.00		NIST
Inp	645.00		NIST
Inp	650.00		NIST
Inp	650.00		NIST
Inp	648.00		NIST
Inp	638.00		NIST
Inp	644.00		NIST
Inp	650.00		NIST
Inp	648.00		NIST
Inp	657.00		NIST
Inp	662.00		NIST
Inp	652.00		NIST
Inp	643.00		NIST
Inp	640.00		NIST
Inp	Outlier 596.00		NIST
I	[851.00; 938.00]
I	911.00		NIST
I	911.00		NIST
I	882.00		NIST
I	912.00		NIST
I	899.00		NIST
I	Outlier 938.00		NIST
I	913.00		NIST
I	909.40		NIST
I	Outlier 851.00		NIST
I	878.00		NIST
I	866.00		NIST
I	904.00		NIST
I	915.00		NIST
I	915.00		NIST
I	890.00		NIST
I	901.00		NIST
I	883.00		NIST
I	882.00		NIST
I	883.00		NIST
I	866.00		NIST
I	896.00		NIST
I	899.00		NIST
I	915.00		NIST
Tboil	[358.20; 364.20]	K
Tboil	361.45	K	Physical properties and phase equilibria of the system isopropyl acetate + isopropanol + 1-octyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide
Tboil	361.65	K	Isobaric vapor-liquid equilibrium data for the binary system methyl acetate + isopropyl acetate and the quaternary system methyl acetate + methanol + isopropanol + isopropyl acetate at 101.3 kPa
Tboil	361.80	K	Experimental studies and thermodynamic analysis of isobaric vapor-liquid-liquid equilibria of 2-propanol + water system using n-propyl acetate and isopropyl acetate as entrainers
Tboil	361.45	K	Vapor Liquid Equilibria for Ternary Mixtures of Isopropyl Alcohol, Isopropyl Acetate, and DMSO at 101.3 kPa
Tboil	361.79	K	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Tboil	361.79	K	Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
Tboil	361.65	K	ChemSep v8.3 pure component data Compiled value
Tboil	363.15	K	NCMS SOLV-DB
Tboil	361.73 ± 0.20	K	NIST
Tboil	361.73 ± 0.30	K	NIST
Tboil	Outlier 358.20	K	NIST
Tboil	361.00	K	NIST
Tboil	361.35 ± 0.20	K	NIST
Tboil	361.00 ± 2.00	K	NIST
Tboil	361.65	K	NIST
Tboil	359.50 ± 1.50	K	NIST
Tboil	359.90 ± 1.00	K	NIST
Tboil	363.15 ± 1.00	K	NIST
Tboil	364.15 ± 1.00	K	NIST
Tboil	364.20 ± 0.50	K	NIST
Tboil	362.15 ± 1.00	K	NIST
Tboil	362.00 ± 0.30	K	NIST
Tc	[516.15; 532.00]	K
Tc	516.15	K	ChemSep v8.3 pure component data Compiled value
Tc	532.00 ± 0.60	K	NIST
Tc	531.00 ± 0.05	K	NIST
Tfus	[199.75; 346.60]	K
Tfus	199.75	K	ChemSep v8.3 pure component data Compiled value
Tfus	199.95	K	Aq. Solubility Prediction
Tfus	199.75	K	NCMS SOLV-DB
Tfus	203.85	K	NIST
Tfus	241.85 ± 0.50	K	NIST
Tfus	Outlier 346.60 ± 0.50	K	NIST
Ttriple	199.75	K	ChemSep v8.3 pure component data Compiled value
UQi	3.65		ChemSep v8.3 pure component data Compiled value
URi	4.15		ChemSep v8.3 pure component data Compiled value
Vc	0.344	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2500000		ChemSep v8.3 pure component data Compiled value
Zra	0.27		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[154.31; 168.95]	J/mol×K	[361.35; 411.00]
Cp,gas	154.31 ± 0.23	J/mol×K	361.35	NIST
Cp,gas	158.99 ± 0.24	J/mol×K	376.91	NIST
Cp,gas	163.59 ± 0.25	J/mol×K	392.36	NIST
Cp,gas	168.95 ± 0.25	J/mol×K	411.00	NIST
Cp,liquid	196.60	J/mol×K	298.15	NIST
η	0.0005200	Pa×s	298.15	NCMS SOLV-DB
ΔvapH	[35.60; 38.80]	kJ/mol	[298.50; 323.00]
ΔvapH	38.80	kJ/mol	298.50	NIST
ΔvapH	36.30	kJ/mol	318.00	NIST
ΔvapH	35.60	kJ/mol	323.00	NIST
Pvap	[7.89; 939.90]	kPa	[298.15; 453.15]
Pvap	7.89	kPa	298.15	NCMS SOLV-DB
Pvap	10.57	kPa	304.07	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	11.58	kPa	306.28	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	13.35	kPa	308.95	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	15.79	kPa	312.53	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	19.00	kPa	316.52	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	20.00	kPa	317.77	Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
Pvap	20.00	kPa	317.77	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	22.45	kPa	320.42	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	25.60	kPa	323.45	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	28.24	kPa	325.91	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	31.94	kPa	328.97	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	36.19	kPa	332.14	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	37.73	kPa	333.15	Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
Pvap	40.00	kPa	334.75	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	40.00	kPa	334.75	Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
Pvap	39.98	kPa	334.75	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	44.85	kPa	337.73	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	50.51	kPa	340.95	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	56.66	kPa	344.18	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	60.00	kPa	345.94	Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
Pvap	60.00	kPa	345.94	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	60.03	kPa	345.94	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	65.32	kPa	348.17	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	70.47	kPa	350.35	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	75.52	kPa	352.47	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	80.00	kPa	354.29	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	80.00	kPa	354.29	Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
Pvap	79.97	kPa	354.29	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	85.89	kPa	356.48	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	90.50	kPa	358.20	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	95.13	kPa	359.77	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	100.54	kPa	361.41	Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
Pvap	101.30	kPa	361.45	Vapor Liquid Equilibria for Ternary Mixtures of Isopropyl Alcohol, Isopropyl Acetate, and DMSO at 101.3 kPa
Pvap	101.30	kPa	361.79	Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
Pvap	101.26	kPa	361.79	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	101.30	kPa	361.79	Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
Pvap	101.00	kPa	361.80	Experimental studies and thermodynamic analysis of isobaric vapor-liquid-liquid equilibria of 2-propanol + water system using n-propyl acetate and isopropyl acetate as entrainers
Pvap	125.86	kPa	368.80	Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
Pvap	151.03	kPa	375.00	Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
Pvap	176.20	kPa	380.40	Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
Pvap	201.37	kPa	385.39	Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
Pvap	226.54	kPa	389.89	Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
Pvap	249.59	kPa	393.15	Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
Pvap	251.71	kPa	393.99	Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
Pvap	939.90	kPa	453.15	Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
n0	[1.37010; 1.37790]		[293.15; 303.15]
n0	1.37510		293.15	Vapor liquid equilibria of carbon dioxide with isopropyl acetate, diethyl carbonate and ethyl butyrate at elevated pressures
n0	1.37790		293.15	Liquid-liquid equilibria of water + solutes (acetic acid/ acetol/furfural/guaiacol/methanol/phenol/propanal) + solvents (isopropyl acetate/toluene) ternary systems for pyrolysis oil fractionation
n0	1.37710		293.15	Liquid Liquid Equilibrium for the Ternary System Isopropyl Acetate + Ethanol + Water at (293.15, 313.15, and 333.15) K
n0	1.37720		293.15	Isobaric Vapor-Liquid Equilibria for Water + Acetic Acid + (n-Pentyl Acetate or Isopropyl Acetate)
n0	1.37480		298.15	Isobaric vapour liquid equilibria and physical properties for isopropyl acetate + isopropanol + 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide mixtures
n0	1.37480		298.15	Vapor-Liquid Equilibrium Data for Binary Mixtures of Dimethyl Carbonate with Methyl Acetate, Ethyl Acetate, n-Propyl Acetate, Isopropyl Acetate, n-Butyl Acetate, and Isoamyl Acetate at 93.13 kPa
n0	1.37739		298.15	Isobaric Vapor-Liquid Equilibrium Data for Binary Systems of Anisole with Methyl Acetate, Ethyl Acetate, n-Propyl Acetate, and Isopropyl Acetate at 93.9 kPa
n0	1.37500		298.15	NCMS SOLV-DB
n0	1.37010		303.15	Liquid-liquid equilibrium for ternary systems of ethyl acetate/isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water at 298.15, 318.15 K
ρl	867.60	kg/m3	298.15	Determination and Correlation of Liquid-Liquid Equilibria Data for Ternary System Isopropyl Acetate + Isopropanol + Water at Different Temperatures
γ	[0.02; 0.02]	N/m	[298.15; 313.15]
γ	0.02	N/m	298.15	Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ	0.02	N/m	298.15	NCMS SOLV-DB
γ	0.02	N/m	308.15	Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
γ	0.02	N/m	313.15	Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
298.15	100.00	866.5
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[87.89; 310.79]	J/mol×K	[199.75; 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			4.93880e+01
Coefficient B			-4.61230e+02
Coefficient C			5.97824e+00
Coefficient D			-1.06740e-04
Coefficient E			6.95900e-08
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			199.75
Temperature range, max.			1200.15
Cp,gas	87.89	J/mol×K	199.75	Calculated Property
Cp,gas	136.59	J/mol×K	310.91	Calculated Property
Cp,gas	177.48	J/mol×K	422.06	Calculated Property
Cp,gas	209.54	J/mol×K	533.22	Calculated Property
Cp,gas	234.80	J/mol×K	644.37	Calculated Property
Cp,gas	255.18	J/mol×K	755.53	Calculated Property
Cp,gas	272.09	J/mol×K	866.68	Calculated Property
Cp,gas	286.55	J/mol×K	977.84	Calculated Property
Cp,gas	299.27	J/mol×K	1088.99	Calculated Property
Cp,gas	310.79	J/mol×K	1200.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[161.45; 293.55]	J/mol×K	[215.75; 478.80]	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			1.31390e+02
Coefficient B			-4.64860e+01
Coefficient C			1.19694e+00
Coefficient D			1.35970e-02
Coefficient E			-1.09990e-05
Comment			ChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.			215.75
Temperature range, max.			478.80
Cp,liquid	161.45	J/mol×K	215.75	Calculated Property
Cp,liquid	170.96	J/mol×K	244.98	Calculated Property
Cp,liquid	182.24	J/mol×K	274.21	Calculated Property
Cp,liquid	195.26	J/mol×K	303.43	Calculated Property
Cp,liquid	209.90	J/mol×K	332.66	Calculated Property
Cp,liquid	225.89	J/mol×K	361.89	Calculated Property
Cp,liquid	242.84	J/mol×K	391.12	Calculated Property
Cp,liquid	260.20	J/mol×K	420.34	Calculated Property
Cp,liquid	277.35	J/mol×K	449.57	Calculated Property
Cp,liquid	293.55	J/mol×K	478.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032227; 0.0001771]	Pa×s	[199.75; 416.00]	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			-1.08950e+01
Coefficient B			1.11570e+03
Coefficient C			-8.44510e-02
Coefficient D			4.83990e-07
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			199.75
Temperature range, max.			416.00
η	0.0032227	Pa×s	199.75	Calculated Property
η	0.0017609	Pa×s	223.78	Calculated Property
η	0.0010825	Pa×s	247.81	Calculated Property
η	0.0007258	Pa×s	271.83	Calculated Property
η	0.0005198	Pa×s	295.86	Calculated Property
η	0.0003918	Pa×s	319.89	Calculated Property
η	0.0003075	Pa×s	343.92	Calculated Property
η	0.0002495	Pa×s	367.94	Calculated Property
η	0.0002079	Pa×s	391.97	Calculated Property
η	0.0001771	Pa×s	416.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[41.62; 6.27]	kJ/mol	[199.75; 514.51]	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			4.85287e+01
Coefficient B			1.39799e-01
Coefficient C			8.74920e-01
Coefficient D			-1.37946e+00
Coefficient E			7.21356e-01
Critical temperature, Tc (K)			5.16150e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			199.75
Temperature range, max.			514.51
ΔvapH	41.62	kJ/mol	199.75	Calculated Property
ΔvapH	39.96	kJ/mol	234.72	Calculated Property
ΔvapH	38.21	kJ/mol	269.70	Calculated Property
ΔvapH	36.35	kJ/mol	304.67	Calculated Property
ΔvapH	34.29	kJ/mol	339.64	Calculated Property
ΔvapH	31.91	kJ/mol	374.62	Calculated Property
ΔvapH	29.02	kJ/mol	409.59	Calculated Property
ΔvapH	25.24	kJ/mol	444.56	Calculated Property
ΔvapH	19.71	kJ/mol	479.54	Calculated Property
ΔvapH	6.27	kJ/mol	514.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.91e-03; 3286.13]	kPa	[199.75; 532.00]	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			4.66882e+01
Coefficient B			-5.67550e+03
Coefficient C			-4.50650e+00
Coefficient D			1.28310e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			199.75
Temperature range, max.			532.00
Pvap	3.91e-03	kPa	199.75	Calculated Property
Pvap	0.16	kPa	236.67	Calculated Property
Pvap	2.12	kPa	273.58	Calculated Property
Pvap	14.50	kPa	310.50	Calculated Property
Pvap	62.89	kPa	347.42	Calculated Property
Pvap	198.38	kPa	384.33	Calculated Property
Pvap	497.27	kPa	421.25	Calculated Property
Pvap	1051.32	kPa	458.17	Calculated Property
Pvap	1953.58	kPa	495.08	Calculated Property
Pvap	3286.13	kPa	532.00	Calculated Property
Pvap	[3.85e-03; 3571.95]	kPa	[199.75; 538.00]	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			4.79142e+01
Coefficient B			-5.71639e+03
Coefficient C			-4.70480e+00
Coefficient D			1.64122e-06
Coefficient E			0.00000e+00
Temperature range, min.			199.75
Temperature range, max.			538.00
Pvap	3.85e-03	kPa	199.75	Calculated Property
Pvap	0.16	kPa	237.33	Calculated Property
Pvap	2.27	kPa	274.92	Calculated Property
Pvap	15.72	kPa	312.50	Calculated Property
Pvap	68.39	kPa	350.08	Calculated Property
Pvap	215.71	kPa	387.67	Calculated Property
Pvap	540.20	kPa	425.25	Calculated Property
Pvap	1141.19	kPa	462.83	Calculated Property
Pvap	2120.75	kPa	500.42	Calculated Property
Pvap	3571.95	kPa	538.00	Calculated Property
Pvap	[0.13; 101.16]	kPa	[234.90; 362.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50859e+01
Coefficient B			-3.43287e+03
Coefficient C			-3.40980e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			234.90
Temperature range, max.			362.00
Pvap	0.13	kPa	234.90	Calculated Property
Pvap	0.41	kPa	249.02	Calculated Property
Pvap	1.10	kPa	263.14	Calculated Property
Pvap	2.63	kPa	277.27	Calculated Property
Pvap	5.72	kPa	291.39	Calculated Property
Pvap	11.45	kPa	305.51	Calculated Property
Pvap	21.40	kPa	319.63	Calculated Property
Pvap	37.71	kPa	333.76	Calculated Property
Pvap	63.15	kPa	347.88	Calculated Property
Pvap	101.16	kPa	362.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[979.55; 491.43]	kg/m3	[199.75; 514.51]	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			1.78189e+02
Coefficient B			3.87460e-01
Coefficient C			5.16150e+02
Coefficient D			4.62460e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			199.75
Temperature range, max.			514.51
ρl	979.55	kg/m3	199.75	Calculated Property
ρl	941.27	kg/m3	234.72	Calculated Property
ρl	901.98	kg/m3	269.70	Calculated Property
ρl	861.41	kg/m3	304.67	Calculated Property
ρl	819.12	kg/m3	339.64	Calculated Property
ρl	774.48	kg/m3	374.62	Calculated Property
ρl	726.39	kg/m3	409.59	Calculated Property
ρl	672.68	kg/m3	444.56	Calculated Property
ρl	607.82	kg/m3	479.54	Calculated Property
ρl	491.43	kg/m3	514.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 1.08e-04]	N/m	[199.75; 514.51]	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			-4.87410e-03
Coefficient B			3.63650e+02
Coefficient C			-7.12580e+00
Coefficient D			1.51000e-02
Coefficient E			-2.51280e-05
Comment			ChemSep eq 16, SurfaceTension
Temperature range, min.			199.75
Temperature range, max.			514.51
γ	0.03	N/m	199.75	Calculated Property
γ	0.03	N/m	234.72	Calculated Property
γ	0.02	N/m	269.70	Calculated Property
γ	0.02	N/m	304.67	Calculated Property
γ	0.02	N/m	339.64	Calculated Property
γ	0.01	N/m	374.62	Calculated Property
γ	0.01	N/m	409.59	Calculated Property
γ	0.01	N/m	444.56	Calculated Property
γ	0.00	N/m	479.54	Calculated Property
γ	1.08e-04	N/m	514.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.00; 0.12]	W/m×K	[199.75; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			-5.91340e+06
Coefficient B			-1.20760e-01
Coefficient C			3.69920e+09
Coefficient D			-2.59960e+13
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			199.75
Temperature range, max.			1000.00
λ	0.00	W/m×K	199.75	Calculated Property
λ	0.01	W/m×K	288.67	Calculated Property
λ	0.02	W/m×K	377.58	Calculated Property
λ	0.03	W/m×K	466.50	Calculated Property
λ	0.04	W/m×K	555.42	Calculated Property
λ	0.05	W/m×K	644.33	Calculated Property
λ	0.06	W/m×K	733.25	Calculated Property
λ	0.08	W/m×K	822.17	Calculated Property
λ	0.10	W/m×K	911.08	Calculated Property
λ	0.12	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.18; 0.10]	W/m×K	[161.40; 421.40]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K
Coefficient A			-9.61200e-02
Coefficient B			7.57600e+00
Coefficient C			-1.20280e+00
Coefficient D			-7.00850e-04
Coefficient E			-9.20970e-07
Comment			ChemSep eq 16, LiquidThermalConductivity
Temperature range, min.			161.40
Temperature range, max.			421.40
λ	0.18	W/m×K	161.40	Calculated Property
λ	0.17	W/m×K	190.29	Calculated Property
λ	0.16	W/m×K	219.18	Calculated Property
λ	0.15	W/m×K	248.07	Calculated Property
λ	0.14	W/m×K	276.96	Calculated Property
λ	0.13	W/m×K	305.84	Calculated Property
λ	0.12	W/m×K	334.73	Calculated Property
λ	0.11	W/m×K	363.62	Calculated Property
λ	0.11	W/m×K	392.51	Calculated Property
λ	0.10	W/m×K	421.40	Calculated Property

Similar Compounds

Find more compounds similar to Isopropyl acetate.

Mixtures

• Acetic acid, mercapto- + Isopropyl acetate + Water
• Carbon dioxide + Isopropyl acetate
• 2-Butanone + Isopropyl acetate
• Isopropyl acetate + 2,2,3,3-Tetrafluoro-1-propanol + Water
• Isopropyl acetate + Water
• Decane + Isopropyl acetate
• Dodecane + Isopropyl acetate
• Heptane + Isopropyl acetate
• n-Hexane + Isopropyl acetate
• 2-Propanol + Isopropyl acetate
• 2-Propanol + Isopropyl acetate + Water
• 2-Propanol + Glycerin + Isopropyl acetate
• Furaneol + Isopropyl acetate
• 2-Propanone, 1-hydroxy- + Isopropyl acetate + Water
• Furfural + Isopropyl acetate + Water
• Phenol, 2-methoxy- + Isopropyl acetate + Water
• Isopropyl acetate + Methyl Alcohol + Water
• Isopropyl acetate + Phenol + Water
• Propanal + Isopropyl acetate + Water
• Isopropyl acetate + Simvastatin

Find more mixtures with Isopropyl acetate.

Sources

• KDB Vapor Pressure Data
• 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.
• Activity coefficient at infinite dilution, azeotropic data, excess enthalpies and solid liquid-equilibria for binary systems of alkanes and aromatics with esters
• Vapor liquid equilibria of carbon dioxide with isopropyl acetate, diethyl carbonate and ethyl butyrate at elevated pressures
• Solubility and limiting activity coefficient of simvastatin in different organic solvents
• Investigation on isobaric vapor liquid equilibrium for acetic acid +water +methyl ethyl ketone + isopropyl acetate
• Physical properties and phase equilibria of the system isopropyl acetate + isopropanol + 1-octyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide
• Isobaric vapour liquid equilibria and physical properties for isopropyl acetate + isopropanol + 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide mixtures
• Isobaric vapor-liquid equilibrium data for the binary system methyl acetate + isopropyl acetate and the quaternary system methyl acetate + methanol + isopropanol + isopropyl acetate at 101.3 kPa
• Measurement and correlation of solubility of D-camphor-10-sulfonic acid in pure solvents
• Liquid-liquid equilibrium for the ternary system of isopropyl acetate + 2-propanol + glycerol at different temperatures under atmospheric pressure
• Experimental studies and thermodynamic analysis of isobaric vapor-liquid-liquid equilibria of 2-propanol + water system using n-propyl acetate and isopropyl acetate as entrainers
• Liquid-liquid equilibria of water + solutes (acetic acid/ acetol/furfural/guaiacol/methanol/phenol/propanal) + solvents (isopropyl acetate/toluene) ternary systems for pyrolysis oil fractionation
• Separation of isopropyl acetate + isopropanol azeotropic mixture using ionic liquids with acetate anion as entrainers
• Thermodynamic equilibrium of 4-hydroxy-2,5-dimethyl-3(2H)-furanone in different solvent systems
• Liquid-liquid equilibrium for ternary systems of ethyl acetate/isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water at 298.15, 318.15 K
• Measurement and thermodynamic modelling of ternary liquid-liquid equilibrium for extraction of thioglycolic acid from aqueous solution with different solvents
• Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
• Solubility of Benzoic Acid and Aspirin in Pure Solvents Using Focused Beam Reflective Measurement
• Vapor Liquid Equilibria for Ternary Mixtures of Isopropyl Alcohol, Isopropyl Acetate, and DMSO at 101.3 kPa
• Measurement and Correlation of Solubility on Reactive Crystallization of Methyl D-(-)-4-Hydroxy-phenylglycinate
• Liquid Liquid Equilibrium for the Ternary System Isopropyl Acetate + Ethanol + Water at (293.15, 313.15, and 333.15) K
• Measurement and Thermodynamic Modeling of Ternary (Liquid + Liquid) Equilibrium for Extraction of N,N-Dimethylacetamide from Aqueous Solution with Different Solvents
• Vapor-Liquid Equilibrium Data for Binary Mixtures of Dimethyl Carbonate with Methyl Acetate, Ethyl Acetate, n-Propyl Acetate, Isopropyl Acetate, n-Butyl Acetate, and Isoamyl Acetate at 93.13 kPa
• Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
• Isobaric Vapor-Liquid Equilibrium Data for Binary Systems of Anisole with Methyl Acetate, Ethyl Acetate, n-Propyl Acetate, and Isopropyl Acetate at 93.9 kPa
• Liquid-Liquid Equilibrium Data for the Systems n-Propyl Acetate or Isopropyl Acetate + n-Propanol or Isopropyl Alcohol + IL at 298.15 and 318.15 K and Atmospheric Pressure
• Determination and Correlation of Liquid-Liquid Equilibria Data for Ternary System Isopropyl Acetate + Isopropanol + Water at Different Temperatures
• Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
• Isobaric Vapor-Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Isopropyl Acetate, sec-Butyl Acetate, or Isoamyl Acetate at 101.3 kPa
• Solubility and Liquid-Liquid Equilibria for the Isopropyl Acetate + Isopropanol + Acetic Acid + Water Quaternary System at 313.15 K and 101.3 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 for Water + Acetic Acid + (n-Pentyl Acetate or Isopropyl Acetate)
• Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
• Vapor-Liquid Equilibrium for Carbon Dioxide + Isopropyl, Isobutyl, and Isoamyl Acetates
• Solubility of Artemisinin in Different Single and Binary Solvent Mixtures Between (284.15 and 323.15) K and NRTL Interaction Parameters
• Isobaric Vapor Liquid Equilibrium for the Binary System of Hexamethyl Disiloxane + Isopropyl Acetate at Atmospheric Pressure
• Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
• Solubility of Lovastatin in Ethyl Acetate, Propyl Acetate, Isopropyl Acetate, Butyl Acetate, sec-Butyl Acetate, Isobutyl Acetate, tert-Butyl Acetate, and 2-Butanone, between (285 and 313) K
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• NCMS SOLV-DB

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