Chemical Properties of Methyl propionate (CAS 554-12-1)

Methyl propionate

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InChI
InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3
InChI Key
RJUFJBKOKNCXHH-UHFFFAOYSA-N
Formula
C4H8O2
SMILES
CCC(=O)OC
Molecular Weight1
88.11
CAS
554-12-1
Other Names
  • C2H5COOCH3
  • Methyl ester of propanoic acid
  • Methyl propanoate
  • Methyl propylate
  • Methylester kyseliny propionove
  • NSC 9375
  • Propanoic acid, methyl ester
  • Propionate de methyle
  • Propionic acid, methyl ester
  • UN 1248
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Physical Properties

Property Value Unit Source
PAff 830.20 kJ/mol NIST
BasG 799.20 kJ/mol NIST
Δcliquid -2246.00 kJ/mol NIST
Δf -251.12 kJ/mol Joback Calculated Property
Δfgas -370.69 kJ/mol Joback Calculated Property
Δfus 8.90 kJ/mol Joback Calculated Property
Δvap [32.30; 35.95] kJ/mol Show
Δvap 35.95 kJ/mol NIST
Δvap 34.50 ± 4.20 kJ/mol NIST
Δvap 35.82 ± 0.09 kJ/mol NIST
Δvap 32.30 ± 0.02 kJ/mol NIST
IE [9.90; 10.30] eV Show
IE 10.15 ± 0.03 eV NIST
IE 10.15 eV NIST
IE 9.90 ± 0.20 eV NIST
IE 10.15 eV NIST
IE 10.15 ± 0.03 eV NIST
IE 10.30 eV NIST
log10WS [-0.14; -0.14]   Show
log10WS -0.14 Aq. Sol...
log10WS -0.14 Estimat...
logPoct/wat 0.569 Crippen Calculated Property
McVol 74.660 ml/mol McGowan Calculated Property
Pc [4004.00; 4041.00] kPa Show
Pc 4004.00 ± 101.32 kPa NIST
Pc 4005.00 ± 40.00 kPa NIST
Pc 4041.00 ± 101.32 kPa NIST
Pc 4041.00 ± 101.32 kPa NIST
ρc [300.44; 312.33] kg/m3 Show
ρc 311.89 ± 9.69 kg/m3 NIST
ρc 312.33 ± 4.41 kg/m3 NIST
ρc 300.44 ± 9.69 kg/m3 NIST
ρc 300.44 ± 9.69 kg/m3 NIST
Inp [600.00; 642.60]   Show
Inp 615.20 NIST
Inp Outlier 600.00 NIST
Inp 628.20 NIST
Inp 625.70 NIST
Inp 624.00 NIST
Inp 629.00 NIST
Inp 610.00 NIST
Inp 627.00 NIST
Inp 622.00 NIST
Inp 607.00 NIST
Inp 615.00 NIST
Inp 627.00 NIST
Inp 629.00 NIST
Inp 618.00 NIST
Inp 618.00 NIST
Inp 617.00 NIST
Inp 612.00 NIST
Inp 607.00 NIST
Inp Outlier 600.00 NIST
Inp 610.00 NIST
Inp 617.00 NIST
Inp 627.00 NIST
Inp 627.00 NIST
Inp 614.00 NIST
Inp 611.60 NIST
Inp 621.00 NIST
Inp 615.00 NIST
Inp 613.00 NIST
Inp 621.00 NIST
Inp 611.00 NIST
Inp 626.00 NIST
Inp 618.00 NIST
Inp Outlier 642.60 NIST
Inp 611.00 NIST
Inp 618.00 NIST
Inp 621.00 NIST
Inp 611.00 NIST
Inp 630.00 NIST
Inp 617.00 NIST
Inp 622.00 NIST
Inp 617.00 NIST
Inp 611.00 NIST
Inp 604.00 NIST
Inp 617.00 NIST
Inp 615.00 NIST
Inp 621.00 NIST
Inp 616.00 NIST
Inp 616.00 NIST
Inp Outlier 639.00 NIST
Inp Outlier 639.00 NIST
Inp 621.00 NIST
Inp 617.00 NIST
I [872.00; 937.00]   Show
I Outlier 937.00 NIST
I 909.00 NIST
I 905.00 NIST
I 916.00 NIST
I 906.00 NIST
I 908.00 NIST
I 899.00 NIST
I 908.00 NIST
I 890.00 NIST
I 896.00 NIST
I 885.00 NIST
I 911.00 NIST
I 901.00 NIST
I 906.00 NIST
I Outlier 872.00 NIST
I Outlier 872.00 NIST
I Outlier 872.00 NIST
I 896.00 NIST
I 904.00 NIST
I 904.00 NIST
I 905.00 NIST
I 905.00 NIST
I 911.00 NIST
I 896.00 NIST
I 900.00 NIST
I 885.00 NIST
I 905.00 NIST
I 910.00 NIST
I 906.00 NIST
I 904.00 NIST
I 908.00 NIST
I 885.00 NIST
I Outlier 937.00 NIST
Tboil [351.15; 353.70] K Show
Tboil 352.65 K Multiph...
Tboil 352.62 K Experim...
Tboil 352.47 K Isobari...
Tboil 351.65 K Isobari...
Tboil 351.65 ± 0.30 K NIST
Tboil 353.10 K NIST
Tboil 352.90 K NIST
Tboil 352.85 ± 0.20 K NIST
Tboil 352.53 ± 0.50 K NIST
Tboil 352.91 ± 0.50 K NIST
Tboil 352.15 ± 2.00 K NIST
Tboil 352.65 ± 1.00 K NIST
Tboil 352.70 ± 0.60 K NIST
Tboil 353.65 ± 2.00 K NIST
Tboil 353.15 ± 1.00 K NIST
Tboil Outlier 351.15 ± 10.00 K NIST
Tboil 353.15 ± 1.00 K NIST
Tboil 353.00 ± 2.00 K NIST
Tboil 352.00 ± 2.00 K NIST
Tboil 353.00 ± 0.50 K NIST
Tboil 352.95 ± 1.00 K NIST
Tboil 353.03 ± 0.50 K NIST
Tboil 352.15 ± 1.00 K NIST
Tboil 353.70 ± 0.30 K NIST
Tboil 352.85 ± 0.50 K NIST
Tboil 352.80 ± 0.50 K NIST
Tboil 352.80 ± 0.50 K NIST
Tboil 352.85 ± 0.50 K NIST
Tboil 352.70 ± 1.00 K NIST
Tc 546.48 K Joback Calculated Property
Tfus [185.27; 185.65] K Show
Tfus 185.27 K Aq. Sol...
Tfus 185.65 ± 0.50 K NIST
Vc 0.283 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [129.57; 168.41] J/mol×K [367.21; 546.48] Show
T(K)
Ideal gas heat capacity (J/mol×K)
130
140
150
160
170
400
450
500
550
Cp,gas 129.57 J/mol×K 367.21 Joback Calculated Property
Cp,gas 136.49 J/mol×K 397.09 Joback Calculated Property
Cp,gas 143.24 J/mol×K 426.97 Joback Calculated Property
Cp,gas 149.81 J/mol×K 456.85 Joback Calculated Property
Cp,gas 156.20 J/mol×K 486.73 Joback Calculated Property
Cp,gas 162.40 J/mol×K 516.61 Joback Calculated Property
Cp,gas 168.41 J/mol×K 546.48 Joback Calculated Property
Cp,liquid [171.20; 175.90] J/mol×K [298.15; 301.45] Show
T(K)
Liquid phase heat capacity (J/mol×K)
171
172
173
174
175
176
299
300
301
Cp,liquid 171.21 J/mol×K 298.15 NIST
Cp,liquid 172.74 J/mol×K 298.15 NIST
Cp,liquid 171.20 J/mol×K 298.15 NIST
Cp,liquid 174.20 J/mol×K 298.15 NIST
Cp,liquid 175.90 J/mol×K 298.38 NIST
Cp,liquid 174.60 J/mol×K 301.45 NIST
η [0.0002686; 0.0024835] Pa×s [207.00; 367.21] Show
T(K)
Dynamic viscosity (Pa×s)
5.00e-4
1.00e-3
1.50e-3
2.00e-3
2.50e-3
250
300
350
η 0.0024835 Pa×s 207.00 Joback Calculated Property
η 0.0013870 Pa×s 233.70 Joback Calculated Property
η 0.0008729 Pa×s 260.40 Joback Calculated Property
η 0.0005988 Pa×s 287.11 Joback Calculated Property
η 0.0004380 Pa×s 313.81 Joback Calculated Property
η 0.0003364 Pa×s 340.51 Joback Calculated Property
η 0.0002686 Pa×s 367.21 Joback Calculated Property
ΔvapH 32.24 kJ/mol 352.90 NIST
Pvap [101.30; 101.30] kPa [352.47; 352.65] Show
Pvap 101.30 kPa 352.47 Isobari...
Pvap 101.30 kPa 352.62 Experim...
Pvap 101.30 kPa 352.65 Multiph...
n0 [1.36410; 1.37430]   [298.15; 318.15] Show
T(K)
Refractive Index
1.36
1.37
1.37
1.37
1.37
1.37
300
305
310
315
n0 1.37421 298.15 Excess ...
n0 1.37400 298.15 Thermod...
n0 1.37430 298.15 Improve...
n0 1.36410 318.15 Thermod...
n0 1.36410 318.15 Excess ...
ρl 909.30 kg/m3 298.15 Densiti...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [259.99; 375.95] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45878e+01
Coefficient B-3.06195e+03
Coefficient C-4.58670e+01
Temperature range, min.259.99
Temperature range, max.375.95
T(K)
Vapor pressure (kPa)
0
50
100
150
200
300
350
Pvap 1.33 kPa 259.99 Calculated Property
Pvap 3.00 kPa 272.87 Calculated Property
Pvap 6.20 kPa 285.76 Calculated Property
Pvap 11.88 kPa 298.64 Calculated Property
Pvap 21.37 kPa 311.53 Calculated Property
Pvap 36.42 kPa 324.41 Calculated Property
Pvap 59.21 kPa 337.30 Calculated Property
Pvap 92.39 kPa 350.18 Calculated Property
Pvap 139.03 kPa 363.07 Calculated Property
Pvap 202.65 kPa 375.95 Calculated Property
Pvap [6.36e-04; 3916.85] kPa [185.65; 530.60] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.37412e+01
Coefficient B-7.00860e+03
Coefficient C-1.02625e+01
Coefficient D7.55664e-06
Temperature range, min.185.65
Temperature range, max.530.60
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
3500
4000
200
300
400
500
Pvap 6.36e-04 kPa 185.65 Calculated Property
Pvap 0.07 kPa 223.98 Calculated Property
Pvap 1.47 kPa 262.31 Calculated Property
Pvap 12.87 kPa 300.63 Calculated Property
Pvap 63.10 kPa 338.96 Calculated Property
Pvap 211.31 kPa 377.29 Calculated Property
Pvap 546.28 kPa 415.62 Calculated Property
Pvap 1180.29 kPa 453.94 Calculated Property
Pvap 2248.03 kPa 492.27 Calculated Property
Pvap 3916.85 kPa 530.60 Calculated Property

Similar Compounds

Propanoic acid, ethyl ester. Propanoic acid, 3-chloro-, methyl ester. Butanedioic acid, dimethyl ester. Propanoic acid, 3-bromo-, methyl ester. 2-Propyn-1-ol, propionate. Propanoic acid, anhydride. Propanoic acid, 3-cyano-, methyl ester. Acetic propanoic anhydride. Propanoic acid, ethenyl ester. Butanoic acid, methyl ester. Propanoic acid, 2,2,2-trichloroethyl ester. 1,2-Ethanediol, dipropanoate. 2-Chloroethyl propionate. Propanoic acid, 3-mercapto-, methyl ester. Propanoic acid, 3-hydroxy-, methyl ester.

Find more compounds similar to Methyl propionate.

Mixtures

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Sources

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