Chemical Properties of Formic acid, hexyl ester (CAS 629-33-4)

Formic acid, hexyl ester

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InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
InChI Key
OUGPMNMLWKSBRI-UHFFFAOYSA-N
Formula
C7H14O2
SMILES
CCCCCCOC=O
Molecular Weight1
130.18
CAS
629-33-4
Other Names
  • Hexyl formate
  • Hexyl formiate
  • hexyl methanoate
  • methanoic acid, hexyl ester
  • n-Hexyl formate
  • n-Hexyl methanoate
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Physical Properties

Property Value Unit Source
Δf -196.46 kJ/mol Joback Calculated Property
Δfgas -405.61 kJ/mol Joback Calculated Property
Δfus 17.36 kJ/mol Joback Calculated Property
Δvap 40.31 kJ/mol Joback Calculated Property
log10WS -1.62 Crippen Calculated Property
logPoct/wat 1.740 Crippen Calculated Property
McVol 116.930 ml/mol McGowan Calculated Property
Pc 2976.29 kPa Joback Calculated Property
Inp [870.00; 947.00]   Show Hide
Inp 884.00 NIST
Inp 901.00 NIST
Inp 907.00 NIST
Inp 907.00 NIST
Inp Outlier 947.00 NIST
Inp 927.00 NIST
Inp 913.00 NIST
Inp 927.00 NIST
Inp 870.00 NIST
Inp 912.00 NIST
Inp 907.00 NIST
Inp 911.00 NIST
Inp 911.00 NIST
Inp 907.00 NIST
Inp 870.00 NIST
Inp 884.00 NIST
I [1336.00; 1382.00]   Show Hide
I 1336.00 NIST
I 1382.00 NIST
I 1371.00 NIST
I 1354.00 NIST
I 1347.00 NIST
I 1336.00 NIST
Tboil [419.00; 428.66] K Show Hide
Tboil 428.66 K KDB
Tboil 427.00 ± 2.00 K NIST
Tboil 427.00 ± 2.00 K NIST
Tboil 428.66 ± 0.30 K NIST
Tboil 426.80 ± 1.50 K NIST
Tboil Outlier 419.00 ± 1.00 K NIST
Tc 602.36 K Joback Calculated Property
Tfus [210.50; 210.50] K Show Hide
Tfus 210.50 K KDB
Tfus 210.50 ± 0.30 K NIST
Vc 0.463 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [240.14; 299.47] J/mol×K [430.64; 602.36] Show Hide
Cp,gas 240.14 J/mol×K 430.64 Joback Calculated Property
Cp,gas 250.91 J/mol×K 459.26 Joback Calculated Property
Cp,gas 261.33 J/mol×K 487.88 Joback Calculated Property
Cp,gas 271.39 J/mol×K 516.50 Joback Calculated Property
Cp,gas 281.10 J/mol×K 545.12 Joback Calculated Property
Cp,gas 290.46 J/mol×K 573.74 Joback Calculated Property
Cp,gas 299.47 J/mol×K 602.36 Joback Calculated Property
η [0.0002848; 0.0035841] Pa×s [232.88; 430.64] Show Hide
η 0.0035841 Pa×s 232.88 Joback Calculated Property
η 0.0018090 Pa×s 265.84 Joback Calculated Property
η 0.0010617 Pa×s 298.80 Joback Calculated Property
η 0.0006927 Pa×s 331.76 Joback Calculated Property
η 0.0004882 Pa×s 364.72 Joback Calculated Property
η 0.0003646 Pa×s 397.68 Joback Calculated Property
η 0.0002848 Pa×s 430.64 Joback Calculated Property
Pvap [0.07; 1.02] kPa [275.40; 313.40] Show Hide
Pvap 0.07 kPa 275.40 Vapour ...
Pvap 0.09 kPa 278.50 Vapour ...
Pvap 0.13 kPa 283.30 Vapour ...
Pvap 0.19 kPa 288.20 Vapour ...
Pvap 0.27 kPa 293.30 Vapour ...
Pvap 0.28 kPa 293.40 Vapour ...
Pvap 0.41 kPa 298.40 Vapour ...
Pvap 0.41 kPa 298.40 Vapour ...
Pvap 0.56 kPa 303.20 Vapour ...
Pvap 0.54 kPa 303.30 Vapour ...
Pvap 0.75 kPa 308.30 Vapour ...
Pvap 0.76 kPa 308.30 Vapour ...
Pvap 1.02 kPa 313.40 Vapour ...
Pvap 1.01 kPa 313.40 Vapour ...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [323.52; 451.62] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.56395e+01
Coefficient B-4.04284e+03
Coefficient C-6.01760e+01
Temperature range, min.323.52
Temperature range, max.451.62
Pvap 1.33 kPa 323.52 Calculated Property
Pvap 2.93 kPa 337.75 Calculated Property
Pvap 5.96 kPa 351.99 Calculated Property
Pvap 11.35 kPa 366.22 Calculated Property
Pvap 20.42 kPa 380.45 Calculated Property
Pvap 34.94 kPa 394.69 Calculated Property
Pvap 57.22 kPa 408.92 Calculated Property
Pvap 90.15 kPa 423.15 Calculated Property
Pvap 137.25 kPa 437.39 Calculated Property
Pvap 202.65 kPa 451.62 Calculated Property

Similar Compounds

Formic acid, heptyl ester. Hexadecyl formate. Tetracosanyl formate. Tetradecyl formate. Formic acid, decyl ester. Dodecyl formate. Eicosanyl formate. Formic acid, undecyl ester. 1-Heneicosyl formate. Octadecyl formate. Formic acid, octyl ester. 1-Docosanol, formate. Formic acid, pentyl ester. Acetic acid, hexyl ester. hexyl-d3 acetate.

Find more compounds similar to Formic acid, hexyl ester.

Sources

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