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

Isopropyl acetate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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

Physical Properties

Property Value Unit Source
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. Sol...
log10WS -0.55 Estimat...
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; 361.87] K Show Hide
Tboil 361.80 K Experim...
Tboil 361.45 K Vapor L...
Tboil 361.79 K Investi...
Tboil 361.79 K Study o...
Tboil 361.87 K Isobari...
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. Sol...
Tfus 203.85 K NIST
Tfus 241.85 ± 0.50 K NIST
Tfus 346.60 ± 0.50 K NIST
Vc 0.334 m3/kmol Joback 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 Investi...
Pvap 11.58 kPa 306.28 Investi...
Pvap 13.35 kPa 308.95 Investi...
Pvap 15.79 kPa 312.53 Investi...
Pvap 19.00 kPa 316.52 Investi...
Pvap 20.00 kPa 317.77 Study o...
Pvap 20.00 kPa 317.77 Investi...
Pvap 22.45 kPa 320.42 Investi...
Pvap 25.60 kPa 323.45 Investi...
Pvap 28.24 kPa 325.91 Investi...
Pvap 31.94 kPa 328.97 Investi...
Pvap 36.19 kPa 332.14 Investi...
Pvap 37.73 kPa 333.15 Vapor-L...
Pvap 40.00 kPa 334.75 Study o...
Pvap 39.98 kPa 334.75 Investi...
Pvap 40.00 kPa 334.75 Investi...
Pvap 44.85 kPa 337.73 Investi...
Pvap 50.51 kPa 340.95 Investi...
Pvap 56.66 kPa 344.18 Investi...
Pvap 60.03 kPa 345.94 Investi...
Pvap 60.00 kPa 345.94 Study o...
Pvap 60.00 kPa 345.94 Investi...
Pvap 65.32 kPa 348.17 Investi...
Pvap 70.47 kPa 350.35 Investi...
Pvap 75.52 kPa 352.47 Investi...
Pvap 80.00 kPa 354.29 Investi...
Pvap 80.00 kPa 354.29 Study o...
Pvap 79.97 kPa 354.29 Investi...
Pvap 85.89 kPa 356.48 Investi...
Pvap 90.50 kPa 358.20 Investi...
Pvap 93.13 kPa 358.92 Vapor-L...
Pvap 93.90 kPa 359.68 Isobari...
Pvap 95.13 kPa 359.77 Investi...
Pvap 101.30 kPa 361.45 Vapor L...
Pvap 101.30 kPa 361.79 Study o...
Pvap 101.26 kPa 361.79 Investi...
Pvap 101.30 kPa 361.79 Investi...
Pvap 101.00 kPa 361.80 Experim...
Pvap 101.30 kPa 361.87 Isobari...
Pvap 249.59 kPa 393.15 Vapor-L...
Pvap 939.90 kPa 453.15 Vapor-L...
n0 [1.37010; 1.37790]   [293.15; 303.15] Show Hide
n0 1.37790 293.15 Liquid-...
n0 1.37710 293.15 Liquid ...
n0 1.37740 293.15 Vapor-L...
n0 1.37740 293.15 Isobari...
n0 1.37010 298.15 Determi...
n0 1.37480 298.15 Vapor-L...
n0 1.37739 298.15 Isobari...
n0 1.37460 298.15 Isobari...
n0 1.37010 303.15 Liquid-...
ρl [866.50; 867.60] kg/m3 [298.15; 298.15] Show Hide
ρl 867.60 kg/m3 298.15 Determi...
ρl 866.50 kg/m3 298.15 Isobari...

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. Propyl-d1-formate.

Find more compounds similar to Isopropyl acetate.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.