Chemical Properties of 1-Butanol, 3-methyl-, formate (CAS 110-45-2)

1-Butanol, 3-methyl-, formate

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InChI
InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
InChI Key
XKYICAQFSCFURC-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC(C)CCOC=O
Molecular Weight1
116.16
CAS
110-45-2
Other Names
  • 3-Methylbutyl formate
  • Formic acid, 3-methylbutyl ester
  • Formic acid, isopentyl ester
  • ISOAMYL FORMATE
  • ISOAMYL METHANOATE
  • ISOPENTYL ESTER FORMIC ACID
  • Isopentyl alcohol, formate
  • Isopentyl formate
  • Isopentyl methanoate
  • UN 1109
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Physical Properties

Property Value Unit Source
Δf -207.32 kJ/mol Joback Calculated Property
Δfgas -390.25 kJ/mol Joback Calculated Property
Δfus 11.25 kJ/mol Joback Calculated Property
Δvap 37.69 kJ/mol Joback Calculated Property
log10WS [-1.52; -1.52]   Show Hide
log10WS -1.52 Aq. Sol...
log10WS -1.52 Estimat...
logPoct/wat 1.205 Crippen Calculated Property
McVol 102.840 ml/mol McGowan Calculated Property
Pc 3345.11 kPa Joback Calculated Property
Inp [727.00; 801.00]   Show Hide
Inp 777.00 NIST
Inp Outlier 727.00 NIST
Inp 774.00 NIST
Inp 748.00 NIST
Inp 739.00 NIST
Inp 777.00 NIST
Inp 801.00 NIST
Inp 792.00 NIST
Inp 794.40 NIST
Inp 792.00 NIST
Inp 792.90 NIST
Inp 773.00 NIST
Inp 777.00 NIST
Inp 789.00 NIST
Inp 792.00 NIST
Inp 775.00 NIST
Inp 775.00 NIST
Inp 801.00 NIST
Inp 777.00 NIST
I [1042.00; 1070.00]   Show Hide
I 1042.00 NIST
I 1070.00 NIST
I 1058.00 NIST
I 1058.00 NIST
I 1042.00 NIST
I 1058.00 NIST
Tboil 396.70 K KDB
Tc 578.00 K KDB
Tfus [179.60; 179.90] K Show Hide
Tfus 179.60 K KDB
Tfus 179.90 K Aq. Sol...
Vc 0.401 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [201.69; 255.92] J/mol×K [407.32; 583.97] Show Hide
Cp,gas 201.69 J/mol×K 407.32 Joback Calculated Property
Cp,gas 211.53 J/mol×K 436.76 Joback Calculated Property
Cp,gas 221.04 J/mol×K 466.20 Joback Calculated Property
Cp,gas 230.24 J/mol×K 495.64 Joback Calculated Property
Cp,gas 239.12 J/mol×K 525.08 Joback Calculated Property
Cp,gas 247.68 J/mol×K 554.53 Joback Calculated Property
Cp,gas 255.92 J/mol×K 583.97 Joback Calculated Property
η [0.0002801; 0.0052383] Pa×s [206.61; 407.32] Show Hide
η 0.0052383 Pa×s 206.61 Joback Calculated Property
η 0.0022883 Pa×s 240.06 Joback Calculated Property
η 0.0012241 Pa×s 273.51 Joback Calculated Property
η 0.0007505 Pa×s 306.97 Joback Calculated Property
η 0.0005066 Pa×s 340.42 Joback Calculated Property
η 0.0003668 Pa×s 373.87 Joback Calculated Property
η 0.0002801 Pa×s 407.32 Joback Calculated Property
ΔvapH 38.90 kJ/mol 326.00 NIST
ρl 882.00 kg/m3 293.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [298.80; 420.45] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.55208e+01
Coefficient B-3.76586e+03
Coefficient C-5.15850e+01
Temperature range, min.298.80
Temperature range, max.420.45
Pvap 1.33 kPa 298.80 Calculated Property
Pvap 2.94 kPa 312.32 Calculated Property
Pvap 5.98 kPa 325.83 Calculated Property
Pvap 11.41 kPa 339.35 Calculated Property
Pvap 20.52 kPa 352.87 Calculated Property
Pvap 35.09 kPa 366.38 Calculated Property
Pvap 57.43 kPa 379.90 Calculated Property
Pvap 90.38 kPa 393.42 Calculated Property
Pvap 137.43 kPa 406.93 Calculated Property
Pvap 202.65 kPa 420.45 Calculated Property
Pvap [0.15; 100.59] kPa [255.15; 396.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.41103e+01
Coefficient B-4.59151e+03
Coefficient C3.57105e-01
Coefficient D-2.86942e-07
Temperature range, min.255.15
Temperature range, max.396.15
Pvap 0.15 kPa 255.15 Calculated Property
Pvap 0.42 kPa 270.82 Calculated Property
Pvap 1.08 kPa 286.48 Calculated Property
Pvap 2.53 kPa 302.15 Calculated Property
Pvap 5.43 kPa 317.82 Calculated Property
Pvap 10.86 kPa 333.48 Calculated Property
Pvap 20.41 kPa 349.15 Calculated Property
Pvap 36.34 kPa 364.82 Calculated Property
Pvap 61.74 kPa 380.48 Calculated Property
Pvap 100.59 kPa 396.15 Calculated Property

Similar Compounds

Formic acid, 3-methylpentyl ester. Butane, 1-methoxy-3-methyl-. 1-Butanol, 3-methyl-, acetate. Diisoamyl ether. 1-Butanol, 3-methyl-, propanoate. Trichloroacetic acid 3-methylbutyl ester. Acetic acid, trifluoro-, 3-methylbutyl ester. Acetic acid, tribromo, 3-methylbutyl ester. Ethanedioic acid, bis(3-methylbutyl) ester. Bromoacetic acid, 3-methylbutyl ester. Formic acid, butyl ester. Chloroacetic acid 3-methylbutyl ester. Butanoic acid, 3-methyl-, 3-methylbutyl ester. Acetic acid, dibromo, 3-methylbutyl ester. Dichloroacetic acid 3-methylbutyl ester.

Find more compounds similar to 1-Butanol, 3-methyl-, formate.

Sources

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