Chemical Properties of Acetic acid, methyl ester (CAS 79-20-9)

Acetic acid, methyl ester

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InChI
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3
InChI Key
KXKVLQRXCPHEJC-UHFFFAOYSA-N
Formula
C3H6O2
SMILES
COC(C)=O
Molecular Weight1
74.08
CAS
79-20-9
Other Names
  • Acetate de methyle
  • CH3COOCH3
  • DEVOTON
  • Ethyl ester of monoacetic acid
  • METHYL ACETIC ESTER
  • METHYL ETHANOATE
  • Methyl acetate
  • Methyl ester of acetic acid
  • Methylacetaat
  • Methylacetat
  • Methyle (acetate de)
  • Methylester kiseliny octove
  • Metile (acetato di)
  • NSC 405071
  • Tereton
  • UN 1231
  • ethanoic acid, methyl ester
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Physical Properties

Property Value Unit Source
ω 0.3260 KDB
PAff 821.60 kJ/mol NIST
Tig 774.82 K KDB
BasG 790.70 kJ/mol NIST
Δcliquid [-1592.20; -1583.00] kJ/mol Show
Δcliquid -1583.00 kJ/mol NIST
Δcliquid -1592.20 ± 0.67 kJ/mol NIST
μ 1.70 debye KDB
η [0.0003711; 0.0004000] Pa×s Show
η 0.0003711 Pa×s Densiti...
η 0.0004000 Pa×s Densiti...
η 0.0003800 Pa×s Densiti...
LFL 3.10 % in Air KDB
UFL 16.00 % in Air KDB
Tflash,cc 267.59 K KDB
Tflash,oc 263.15 K KDB
Δf -259.54 kJ/mol Joback Calculated Property
Rg 2.8620 KDB
Δfgas [-410.00; -409.70] kJ/mol Show
Δfgas -409.70 kJ/mol KDB
Δfgas -410.00 kJ/mol NIST
Δfliquid -445.89 kJ/mol NIST
Δfus 6.31 kJ/mol Joback Calculated Property
Δvap 31.43 kJ/mol Joback Calculated Property
IE [10.20; 11.00] eV Show
IE 10.25 ± 0.02 eV NIST
IE 10.20 eV NIST
IE 10.25 eV NIST
IE 10.25 ± 0.05 eV NIST
IE 10.33 eV NIST
IE 10.27 ± 0.02 eV NIST
IE 10.50 eV NIST
IE 10.25 eV NIST
IE Outlier 11.00 eV NIST
IE 10.59 eV NIST
log10WS [0.46; 0.52]   Show
log10WS 0.52 Aq. Sol...
log10WS 0.46 Estimat...
logPoct/wat 0.179 Crippen Calculated Property
McVol 60.570 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 1 KDB
Pc [4694.00; 5840.00] kPa Show
Pc 4750.00 kPa KDB
Pc 4750.00 ± 4.74 kPa NIST
Pc 4694.00 ± 81.06 kPa NIST
Pc 4694.30 ± 40.00 kPa NIST
Pc 4817.00 ± 101.32 kPa NIST
Pc Outlier 5840.00 ± 607.95 kPa NIST
ρc [320.02; 325.50] kg/m3 Show
ρc 325.50 ± 3.70 kg/m3 NIST
ρc 320.02 ± 5.93 kg/m3 NIST
Inp [501.15; 560.00]   Show
Inp 501.15 NIST
Inp 522.17 NIST
Inp 520.60 NIST
Inp 521.00 NIST
Inp 526.20 NIST
Inp 521.30 NIST
Inp 515.70 NIST
Inp 513.80 NIST
Inp 511.50 NIST
Inp 529.70 NIST
Inp 525.70 NIST
Inp 523.70 NIST
Inp 530.00 NIST
Inp 525.70 NIST
Inp 522.40 NIST
Inp 505.00 NIST
Inp 505.00 NIST
Inp 505.00 NIST
Inp 509.00 NIST
Inp 505.00 NIST
Inp 529.00 NIST
Inp Outlier 560.00 NIST
Inp 525.90 NIST
Inp 509.00 NIST
Inp 509.00 NIST
Inp 505.00 NIST
Inp 506.00 NIST
Inp 510.00 NIST
Inp 531.00 NIST
Inp 509.00 NIST
Inp 522.00 NIST
Inp 531.00 NIST
Inp 517.20 NIST
Inp 526.30 NIST
Inp 506.00 NIST
Inp 511.00 NIST
Inp 511.00 NIST
Inp 521.30 NIST
Inp 516.70 NIST
Inp 536.00 NIST
Inp 515.00 NIST
Inp Outlier 559.00 NIST
Inp 512.00 NIST
Inp 513.00 NIST
Inp 513.00 NIST
Inp 510.00 NIST
Inp 511.00 NIST
Inp 507.00 NIST
Inp 512.00 NIST
Inp 515.00 NIST
Inp 524.00 NIST
Inp 515.30 NIST
Inp 525.00 NIST
Inp 511.00 NIST
Inp 515.00 NIST
Inp 513.00 NIST
Inp 519.00 NIST
Inp 509.00 NIST
Inp 531.00 NIST
Inp 528.00 NIST
Inp 509.00 NIST
Inp 509.00 NIST
Inp 525.00 NIST
Inp 509.00 NIST
Inp Outlier 559.00 NIST
Inp 523.00 NIST
Inp 513.00 NIST
Inp 509.00 NIST
Inp 530.00 NIST
Inp 512.00 NIST
Inp 510.00 NIST
Inp 507.00 NIST
Inp 512.00 NIST
Inp 513.00 NIST
Inp 524.00 NIST
Inp 508.00 NIST
Inp 508.00 NIST
Inp 519.00 NIST
Inp 513.00 NIST
I [782.00; 877.00]   Show
I 844.00 NIST
I Outlier 877.00 NIST
I 823.00 NIST
I 839.00 NIST
I 850.00 NIST
I 836.00 NIST
I 832.00 NIST
I 810.00 NIST
I 827.00 NIST
I 828.00 NIST
I 798.00 NIST
I 839.00 NIST
I 826.00 NIST
I Outlier 864.00 NIST
I 832.80 NIST
I 801.00 NIST
I 834.00 NIST
I 825.00 NIST
I 829.00 NIST
I 827.00 NIST
I 817.00 NIST
I 825.00 NIST
I 828.00 NIST
I 825.00 NIST
I 848.00 NIST
I 818.00 NIST
I 843.00 NIST
I 828.00 NIST
I 813.00 NIST
I 832.00 NIST
I 828.00 NIST
I 826.00 NIST
I Outlier 782.00 NIST
I 856.00 NIST
I 822.00 NIST
I Outlier 782.00 NIST
I Outlier 782.00 NIST
I 825.00 NIST
I 827.00 NIST
I 837.00 NIST
I 845.00 NIST
I 825.00 NIST
I 825.00 NIST
I 828.00 NIST
I Outlier 784.00 NIST
I 834.00 NIST
I 854.00 NIST
I 826.00 NIST
I 827.00 NIST
I 813.00 NIST
I 834.00 NIST
I 804.00 NIST
I 834.00 NIST
I 834.00 NIST
I 813.00 NIST
I 834.00 NIST
I 841.00 NIST
I 841.00 NIST
I 827.00 NIST
I 796.00 NIST
Tboil [329.85; 330.95] K Show
Tboil 330.02 K KDB
Tboil 330.04 K Volumet...
Tboil 330.05 K Multiph...
Tboil Outlier 330.95 K Isobari...
Tboil 330.40 K Isobari...
Tboil 330.02 K Experim...
Tboil 330.05 K Isobari...
Tboil 330.20 K Isobari...
Tboil 329.85 K Isobari...
Tboil 329.97 K Vapor-L...
Tboil 329.95 K Experim...
Tc 506.55 K KDB
Tfus [175.00; 175.15] K Show
Tfus 175.00 K KDB
Tfus 175.15 ± 0.30 K NIST
Tfus 175.10 ± 0.20 K NIST
Ttriple 174.90 ± 0.01 K NIST
Vc 0.228 m3/kmol KDB
Zc 0.2571400 KDB
Zra 0.26 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [92.58; 114.63] J/mol×K [335.00; 450.00] Show
T(K)
Ideal gas heat capacity (J/mol×K)
95
100
105
110
115
350
400
450
Cp,gas 92.58 J/mol×K 335.00 NIST
Cp,gas 95.46 J/mol×K 350.00 NIST
Cp,gas 100.39 J/mol×K 375.00 NIST
Cp,gas 105.31 J/mol×K 400.00 NIST
Cp,gas 109.98 J/mol×K 425.00 NIST
Cp,gas 114.63 J/mol×K 450.00 NIST
Cp,liquid [123.70; 141.34] J/mol×K [288.58; 298.15] Show
T(K)
Liquid phase heat capacity (J/mol×K)
125
130
135
140
290
295
Cp,liquid 140.20 J/mol×K 288.58 NIST
Cp,liquid 123.70 J/mol×K 297.00 NIST
Cp,liquid 141.34 J/mol×K 298.15 NIST
Cp,liquid 140.60 J/mol×K 298.15 NIST
Cp,liquid 140.56 J/mol×K 298.15 NIST
η [0.0003480; 0.0003860] Pa×s [293.15; 308.15] Show
T(K)
Dynamic viscosity (Pa×s)
3.50e-4
3.60e-4
3.70e-4
3.80e-4
295
300
305
η 0.0003860 Pa×s 293.15 Density...
η 0.0003860 Pa×s 293.15 Dynamic...
η 0.0003670 Pa×s 298.15 Density...
η 0.0003840 Pa×s 298.15 Densiti...
η 0.0003670 Pa×s 298.15 Dynamic...
η 0.0003480 Pa×s 303.15 Density...
η 0.0003480 Pa×s 303.15 Dynamic...
η 0.0003510 Pa×s 308.15 Densiti...
ΔfusH [7.49; 7.49] kJ/mol [174.90; 174.90] Show
ΔfusH 7.49 kJ/mol 174.90 NIST
ΔfusH 7.49 kJ/mol 174.90 NIST
ΔfusH 7.49 kJ/mol 174.90 NIST
ΔvapH [29.50; 34.50] kJ/mol [295.00; 343.00] Show
T(K)
Enthalpy of vaporization at a given temperature (kJ/mol)
29
30
31
32
33
34
300
320
340
ΔvapH 32.50 kJ/mol 295.00 NIST
ΔvapH 34.50 kJ/mol 295.50 NIST
ΔvapH 33.40 kJ/mol 301.50 NIST
ΔvapH 32.20 ± 0.10 kJ/mol 304.00 NIST
ΔvapH 34.10 kJ/mol 305.50 NIST
ΔvapH 31.60 ± 0.10 kJ/mol 313.00 NIST
ΔvapH 31.80 kJ/mol 323.00 NIST
ΔvapH 30.50 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 30.20 kJ/mol 330.00 NIST
ΔvapH 30.32 kJ/mol 330.10 NIST
ΔvapH 30.30 ± 0.10 kJ/mol 331.00 NIST
ΔvapH 29.50 ± 0.10 kJ/mol 343.00 NIST
Pvap [37.14; 1500.00] kPa [304.00; 436.08] Show
T(K)
Vapor pressure (kPa)
0
200
400
600
800
1000
1200
1400
1600
350
400
Pvap 37.14 kPa 304.00 Isobari...
Pvap 40.40 kPa 306.00 Isobari...
Pvap 43.89 kPa 308.00 Isobari...
Pvap 47.62 kPa 310.00 Isobari...
Pvap 51.60 kPa 312.00 Isobari...
Pvap 53.81 kPa 313.15 Total V...
Pvap 55.85 kPa 314.00 Isobari...
Pvap 60.38 kPa 316.00 Isobari...
Pvap 65.21 kPa 318.00 Isobari...
Pvap 70.34 kPa 320.00 Isobari...
Pvap 75.79 kPa 322.00 Isobari...
Pvap 79.21 kPa 323.15 Isother...
Pvap 81.58 kPa 324.00 Isobari...
Pvap 87.72 kPa 326.00 Isobari...
Pvap 94.23 kPa 328.00 Isobari...
Pvap 101.33 kPa 329.95 Experim...
Pvap 101.30 kPa 329.97 Vapor-L...
Pvap 101.12 kPa 330.00 Isobari...
Pvap 101.30 kPa 330.05 Multiph...
Pvap 108.41 kPa 332.00 Isobari...
Pvap 116.11 kPa 334.00 Isobari...
Pvap 124.25 kPa 336.00 Isobari...
Pvap 132.83 kPa 338.00 Isobari...
Pvap 600.00 kPa 393.01 Experim...
Pvap 1500.00 kPa 436.08 Measure...
n0 [1.34823; 1.36500]   [288.15; 318.15] Show
T(K)
Refractive Index
1.35
1.36
1.36
1.37
290
300
310
n0 1.36500 288.15 Density...
n0 1.36414 288.15 Density...
n0 1.35865 298.15 Density...
n0 1.35881 298.15 Propert...
n0 1.35850 298.15 Molecul...
n0 1.35850 298.15 Thermod...
n0 1.35893 298.15 Densiti...
n0 1.35881 298.15 Density...
n0 1.35890 298.15 Vapor-l...
n0 1.35880 298.15 A Study...
n0 1.35872 298.15 Vapor-L...
n0 1.36146 298.15 Isobari...
n0 1.35870 298.15 Isobari...
n0 1.35875 298.15 Measure...
n0 1.35893 298.15 Isobari...
n0 1.35906 298.15 Excess ...
n0 1.35670 303.15 Densiti...
n0 1.35367 308.15 Density...
n0 1.34860 318.15 Excess ...
n0 1.34900 318.15 Thermod...
n0 1.34823 318.15 Density...
ρl [907.90; 935.01] kg/m3 [293.00; 313.15] Show
T(K)
Liquid Density (kg/m3)
910
915
920
925
930
935
295
300
305
310
ρl 934.00 kg/m3 293.00 KDB
ρl 935.01 kg/m3 293.15 Volumet...
ρl 927.50 kg/m3 298.15 Isobari...
ρl 927.30 kg/m3 298.15 Isobari...
ρl 927.10 kg/m3 298.15 Vapor-l...
ρl 926.90 kg/m3 298.15 Densiti...
ρl 927.70 kg/m3 298.15 Liquid ...
ρl 927.30 kg/m3 298.15 Experim...
ρl 927.10 kg/m3 298.15 Ternary...
ρl 928.46 kg/m3 298.15 Volumet...
ρl 921.85 kg/m3 303.15 Volumet...
ρl 920.50 kg/m3 303.15 Ternary...
ρl 915.16 kg/m3 308.15 Volumet...
ρl 908.49 kg/m3 313.15 Volumet...
ρl 907.90 kg/m3 313.15 Ternary...
csound,fluid [1110.02; 1200.38] m/s [288.15; 308.15] Show
T(K)
Speed of sound in fluid (m/s)
1120
1140
1160
1180
1200
290
295
300
305
csound,fluid 1200.38 m/s 288.15 Densiti...
csound,fluid 1178.95 m/s 293.15 Densiti...
csound,fluid 1155.93 m/s 298.15 Densiti...
csound,fluid 1132.98 m/s 303.15 Densiti...
csound,fluid 1110.02 m/s 308.15 Densiti...
γ 0.02 N/m 298.15 Surface...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 4701.97] kPa [243.21; 506.55] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.47592e+01
Coefficient B-2.94089e+03
Coefficient C-3.99950e+01
Temperature range, min.243.21
Temperature range, max.506.55
T(K)
Vapor pressure (kPa)
0
1000
2000
3000
4000
5000
300
400
500
Pvap 1.33 kPa 243.21 Calculated Property
Pvap 8.24 kPa 272.47 Calculated Property
Pvap 33.89 kPa 301.73 Calculated Property
Pvap 104.88 kPa 330.99 Calculated Property
Pvap 264.06 kPa 360.25 Calculated Property
Pvap 569.61 kPa 389.51 Calculated Property
Pvap 1091.09 kPa 418.77 Calculated Property
Pvap 1903.99 kPa 448.03 Calculated Property
Pvap 3083.95 kPa 477.29 Calculated Property
Pvap 4701.97 kPa 506.55 Calculated Property
Pvap [9.06e-04; 4664.54] kPa [175.15; 506.80] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.85873e+01
Coefficient B-6.36277e+03
Coefficient C-9.58632e+00
Coefficient D8.25370e-06
Temperature range, min.175.15
Temperature range, max.506.80
T(K)
Vapor pressure (kPa)
0
1000
2000
3000
4000
5000
200
300
400
500
Pvap 9.06e-04 kPa 175.15 Calculated Property
Pvap 0.09 kPa 212.00 Calculated Property
Pvap 1.90 kPa 248.85 Calculated Property
Pvap 16.12 kPa 285.70 Calculated Property
Pvap 77.21 kPa 322.55 Calculated Property
Pvap 254.55 kPa 359.40 Calculated Property
Pvap 651.98 kPa 396.25 Calculated Property
Pvap 1402.54 kPa 433.10 Calculated Property
Pvap 2670.14 kPa 469.95 Calculated Property
Pvap 4664.54 kPa 506.80 Calculated Property

Similar Compounds

Methanol, chloro-, acetate. Methyl iodoacetate. Acetic acid, anhydride with formic acid. Methyl fluoroacetate. Acetic acid, chloro-, methyl ester. Acetic acid, oxo-, methyl ester. Acetic acid, bromo-, methyl ester. Hydroxymethyl acetate. Methylene diacetate. Ethyl Acetate. Acetic acid, cyano-, methyl ester. 2-Propyn-1-ol, acetate. Acetic acid, hydroxy-, methyl ester. Acetic anhydride. Acetic acid, methoxy-, methyl ester.

Find more compounds similar to Acetic acid, methyl ester.

Mixtures

Find more mixtures with Acetic acid, methyl ester.

Sources

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