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

Isopropyl acetate

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

Property Value Unit Source
ω 0.3654 Relay (1.0) Calculated Property
PAff 836.60 kJ/mol NIST
BasG 805.60 kJ/mol NIST
Δcliquid [-2879.00; -2869.80] kJ/mol Show Hide
Δcliquid -2869.80 ± 4.10 kJ/mol NIST
Δcliquid -2879.00 kJ/mol NIST
Δf -245.14 kJ/mol Joback Calculated Property
Δfgas -489.70 ± 3.70 kJ/mol NIST
Δfliquid -526.90 ± 3.70 kJ/mol NIST
Δfus 7.97 kJ/mol Joback Calculated Property
Δvap [33.00; 37.20] kJ/mol Show Hide
Δvap 37.00 kJ/mol NIST
Δvap 37.20 ± 0.20 kJ/mol NIST
Δvap 37.20 ± 0.20 kJ/mol NIST
Δvap 33.00 kJ/mol NIST
IE [9.95; 10.08] eV Show Hide
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]   Show Hide
log10WS -0.55 Aq. Solubility Prediction
log10WS -0.55 Estimated Solubility
logPoct/wat 0.958 Crippen Calculated Property
McVol 88.750 ml/mol McGowan Calculated Property
Pc 3290.00 ± 20.00 kPa NIST
Inp [595.00; 662.00]   Show Hide
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 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
I [851.00; 938.00]   Show Hide
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 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
Tboil [361.45; 361.80] K Show Hide
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
Tc [531.00; 532.00] K Show Hide
Tc 532.00 ± 0.60 K NIST
Tc 531.00 ± 0.05 K NIST
Tfus [199.95; 346.60] K Show Hide
Tfus 199.95 K Aq. Solubility Prediction
Tfus 203.85 K NIST
Tfus 241.85 ± 0.50 K NIST
Tfus 346.60 ± 0.50 K NIST
Vc 0.339 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [154.31; 168.95] J/mol×K [361.35; 411.00] Show Hide
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 [0.0002653; 0.0043372] Pa×s [203.27; 389.65] Show Hide
η 0.0043372 Pa×s 203.27 Joback Calculated Property
η 0.0019995 Pa×s 234.33 Joback Calculated Property
η 0.0011050 Pa×s 265.40 Joback Calculated Property
η 0.0006915 Pa×s 296.46 Joback Calculated Property
η 0.0004730 Pa×s 327.52 Joback Calculated Property
η 0.0003455 Pa×s 358.59 Joback Calculated Property
η 0.0002653 Pa×s 389.65 Joback Calculated Property
ΔvapH [35.60; 38.80] kJ/mol [298.50; 323.00] Show Hide
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 [10.57; 939.90] kPa [304.07; 453.15] Show Hide
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 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 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 79.97 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 80.00 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 101.26 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 101.30 kPa 361.79 Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
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] Show Hide
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 1.37010 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] Show Hide
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 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
Pvap [3.85e-03; 3571.95] kPa [199.75; 538.00] KDB Vapor Pressure Data Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A4.79142e+01
Coefficient B-5.71639e+03
Coefficient C-4.70480e+00
Coefficient D1.64122e-06
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

Similar Compounds

acetic acid, 2-iodo-, 1-methylethyl ester. ClCH2C(O)OCH(CH3)2. Isopropyl bromoacetate. Propanoic acid, 1-methylethyl ester. 2-acetoxypropanal. Isopropyl trifluoroacetate. Acetic acid, dichloro-, 1-methylethyl ester. Isopropyl diazoacetate. Acetic acid, dibromo, 1-methylethyl ester. Isopropyl acrylate. Trichloroaetic acid isopropyl ester. Isopropyl tribromoacetate. Diisopropyl ether. Malonic acid diisopropyl ester. Formic acid, 1-methylethyl ester.

Find more compounds similar to Isopropyl acetate.

Mixtures

Find more mixtures with Isopropyl acetate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.