Chemical Properties of Formic acid, 2-methylpropyl ester (CAS 542-55-2)

Formic acid, 2-methylpropyl ester

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InChI
InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
InChI Key
AVMSWPWPYJVYKY-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC(C)COC=O
Molecular Weight1
102.13
CAS
542-55-2
Other Names
  • 2-Methyl-1-propyl formate
  • 2-Methylpropyl formate
  • Formic acid, isobutyl ester
  • Isobutyl formate
  • Isobutyl methanoate
  • Isobutylester kyseliny mravenci
  • NSC 6968
  • Tetryl formate
  • UN 2393

Physical Properties

Property Value Unit Source
ω 0.3960 KDB
μ 1.90 debye KDB
Δf -215.74 kJ/mol Joback Calculated Property
Δfgas -369.61 kJ/mol Joback Calculated Property
Δfus 8.66 kJ/mol Joback Calculated Property
Δvap 33.60 ± 0.04 kJ/mol NIST
IE 10.46 ± 0.02 eV NIST
log10WS [-1.01; -1.01]   Show Hide
log10WS -1.01 Aq. Sol...
log10WS -1.01 Estimat...
logPoct/wat 0.815 Crippen Calculated Property
McVol 88.750 ml/mol McGowan Calculated Property
Pc [3880.00; 3880.00] kPa Show Hide
Pc 3880.00 kPa KDB
Pc 3880.00 ± 303.98 kPa NIST
ρc 287.91 ± 5.11 kg/m3 NIST
Inp [639.00; 673.00]   Show Hide
Inp 642.00 NIST
Inp 648.00 NIST
Inp 670.00 NIST
Inp 660.00 NIST
Inp 642.00 NIST
Inp 639.00 NIST
Inp 670.00 NIST
Inp 670.00 NIST
Inp 673.00 NIST
Inp 670.00 NIST
I [955.00; 955.00]   Show Hide
I 955.00 NIST
I 955.00 NIST
Tboil [369.75; 371.65] K Show Hide
Tboil 371.40 K KDB
Tboil 371.60 K NIST
Tboil 371.45 ± 0.30 K NIST
Tboil 370.40 ± 1.00 K NIST
Tboil 371.10 ± 0.50 K NIST
Tboil 371.10 ± 0.50 K NIST
Tboil 371.55 ± 0.50 K NIST
Tboil 371.60 ± 0.40 K NIST
Tboil 371.05 ± 1.00 K NIST
Tboil 371.25 ± 1.00 K NIST
Tboil Outlier 369.75 ± 1.00 K NIST
Tboil 370.90 ± 0.50 K NIST
Tboil 370.00 ± 3.00 K NIST
Tboil 371.65 ± 1.00 K NIST
Tc [551.00; 551.40] K Show Hide
Tc 551.00 K KDB
Tc 551.40 ± 4.00 K NIST
Tfus [177.30; 177.90] K Show Hide
Tfus 177.35 K Aq. Sol...
Tfus 177.30 K KDB
Tfus 177.90 ± 0.40 K NIST
Vc 0.352 m3/kmol KDB
Zc 0.2981170 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [165.58; 212.38] J/mol×K [384.44; 561.97] Show Hide
Cp,gas 165.58 J/mol×K 384.44 Joback Calculated Property
Cp,gas 174.02 J/mol×K 414.03 Joback Calculated Property
Cp,gas 182.20 J/mol×K 443.62 Joback Calculated Property
Cp,gas 190.13 J/mol×K 473.21 Joback Calculated Property
Cp,gas 197.81 J/mol×K 502.79 Joback Calculated Property
Cp,gas 205.22 J/mol×K 532.38 Joback Calculated Property
Cp,gas 212.38 J/mol×K 561.97 Joback Calculated Property
Cp,liquid 214.20 J/mol×K 290.00 NIST
η [0.0002815; 0.0048899] Pa×s [195.34; 384.44] Show Hide
η 0.0048899 Pa×s 195.34 Joback Calculated Property
η 0.0021832 Pa×s 226.86 Joback Calculated Property
η 0.0011867 Pa×s 258.37 Joback Calculated Property
η 0.0007365 Pa×s 289.89 Joback Calculated Property
η 0.0005019 Pa×s 321.41 Joback Calculated Property
η 0.0003663 Pa×s 352.92 Joback Calculated Property
η 0.0002815 Pa×s 384.44 Joback Calculated Property
ΔvapH [36.60; 38.60] kJ/mol [306.00; 439.00] Show Hide
ΔvapH 38.60 kJ/mol 306.00 NIST
ΔvapH 36.60 kJ/mol 439.00 NIST
ρl 885.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.62] kPa [276.80; 394.24] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.45847e+01
Coefficient B-3.09930e+03
Coefficient C-6.00250e+01
Temperature range, min.276.80
Temperature range, max.394.24
Pvap 1.33 kPa 276.80 Calculated Property
Pvap 3.00 kPa 289.85 Calculated Property
Pvap 6.19 kPa 302.90 Calculated Property
Pvap 11.87 kPa 315.95 Calculated Property
Pvap 21.37 kPa 329.00 Calculated Property
Pvap 36.42 kPa 342.04 Calculated Property
Pvap 59.21 kPa 355.09 Calculated Property
Pvap 92.38 kPa 368.14 Calculated Property
Pvap 139.01 kPa 381.19 Calculated Property
Pvap 202.62 kPa 394.24 Calculated Property
Pvap [1.17e-04; 3428.21] kPa [177.35; 551.35] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A-1.77684e+01
Coefficient B-3.64340e+03
Coefficient C5.72239e+00
Coefficient D-1.18607e-05
Temperature range, min.177.35
Temperature range, max.551.35
Pvap 1.17e-04 kPa 177.35 Calculated Property
Pvap 0.02 kPa 218.91 Calculated Property
Pvap 0.48 kPa 260.46 Calculated Property
Pvap 5.83 kPa 302.02 Calculated Property
Pvap 38.18 kPa 343.57 Calculated Property
Pvap 160.90 kPa 385.13 Calculated Property
Pvap 487.07 kPa 426.68 Calculated Property
Pvap 1137.90 kPa 468.24 Calculated Property
Pvap 2155.40 kPa 509.79 Calculated Property
Pvap 3428.21 kPa 551.35 Calculated Property

Similar Compounds

Propane, 1-methoxy-2-methyl-. Isobutyl chloroformate. Isobutyl acetate. Isobutyl ether. Propanoic acid, 2-methyl-, 2-methylpropyl ester. Pivalic acid, 2-methylpropyl ester. Acetic acid, tribromo, 2-methylpropyl ester. Trichloroacetic acid 2-methylpropyl ester. Trifluoroacetic acid, 2-methylpropyl ester. Propanoic acid, 2-methylpropyl ester. Oxetane, 3-methyl. Formic acid, neopentyl ester. o-isobutyl carbamate. Formic acid, propyl ester. Formic acid, 2-methylbutyl ester.

Find more compounds similar to Formic acid, 2-methylpropyl ester.

Sources

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