Chemical Properties of Formic acid, heptyl ester (CAS 112-23-2)

Formic acid, heptyl ester

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InChI
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3
InChI Key
XEAMDSXSXYAICO-UHFFFAOYSA-N
Formula
C8H16O2
SMILES
CCCCCCCOC=O
Molecular Weight1
144.21
CAS
112-23-2
Other Names
  • Heptanol, formate
  • Heptyl alcohol, formate
  • Heptyl formate
  • formic acid heptyl ester
  • heptyl alcohol formate
  • heptyl methanoate
  • methanoic acid, heptyl ester
  • n-Heptyl formate
  • n-Heptyl methanoate
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Physical Properties

Property Value Unit Source
Δf -188.04 kJ/mol Joback Calculated Property
Δfgas -426.25 kJ/mol Joback Calculated Property
Δfus 19.95 kJ/mol Joback Calculated Property
Δvap 42.53 kJ/mol Joback Calculated Property
log10WS -2.03 Crippen Calculated Property
logPoct/wat 2.130 Crippen Calculated Property
McVol 131.020 ml/mol McGowan Calculated Property
Pc 2687.42 kPa Joback Calculated Property
Inp [1012.00; 1039.00]   Show Hide
Inp 1039.00 NIST
Inp 1012.00 NIST
Inp 1039.00 NIST
I 1357.00 NIST
Tboil [449.90; 471.00] K Show Hide
Tboil 451.27 K KDB
Tboil 471.00 ± 3.00 K NIST
Tboil 451.27 ± 0.30 K NIST
Tboil 449.90 ± 1.50 K NIST
Tc 624.14 K Joback Calculated Property
Tfus 244.15 K Joback Calculated Property
Vc 0.518 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [280.88; 346.18] J/mol×K [453.52; 624.14] Show Hide
Cp,gas 280.88 J/mol×K 453.52 Joback Calculated Property
Cp,gas 292.78 J/mol×K 481.96 Joback Calculated Property
Cp,gas 304.27 J/mol×K 510.39 Joback Calculated Property
Cp,gas 315.35 J/mol×K 538.83 Joback Calculated Property
Cp,gas 326.02 J/mol×K 567.27 Joback Calculated Property
Cp,gas 336.30 J/mol×K 595.71 Joback Calculated Property
Cp,gas 346.18 J/mol×K 624.14 Joback Calculated Property
η [0.0002738; 0.0037096] Pa×s [244.15; 453.52] Show Hide
η 0.0037096 Pa×s 244.15 Joback Calculated Property
η 0.0018311 Pa×s 279.05 Joback Calculated Property
η 0.0010574 Pa×s 313.94 Joback Calculated Property
η 0.0006815 Pa×s 348.83 Joback Calculated Property
η 0.0004758 Pa×s 383.73 Joback Calculated Property
η 0.0003527 Pa×s 418.62 Joback Calculated Property
η 0.0002738 Pa×s 453.52 Joback Calculated Property
Pvap [0.02; 0.44] kPa [276.10; 316.40] Show Hide
Pvap 0.02 kPa 276.10 Vapour ...
Pvap 0.02 kPa 277.60 Vapour ...
Pvap 0.03 kPa 278.60 Vapour ...
Pvap 0.03 kPa 280.40 Vapour ...
Pvap 0.04 kPa 283.30 Vapour ...
Pvap 0.06 kPa 288.30 Vapour ...
Pvap 0.09 kPa 293.20 Vapour ...
Pvap 0.09 kPa 293.20 Vapour ...
Pvap 0.09 kPa 293.30 Vapour ...
Pvap 0.13 kPa 298.30 Vapour ...
Pvap 0.13 kPa 298.30 Vapour ...
Pvap 0.18 kPa 303.30 Vapour ...
Pvap 0.26 kPa 308.20 Vapour ...
Pvap 0.32 kPa 311.00 Vapour ...
Pvap 0.35 kPa 313.30 Vapour ...
Pvap 0.44 kPa 316.40 Vapour ...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [341.12; 477.66] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54237e+01
Coefficient B-4.15982e+03
Coefficient C-6.62920e+01
Temperature range, min.341.12
Temperature range, max.477.66
Pvap 1.33 kPa 341.12 Calculated Property
Pvap 2.94 kPa 356.29 Calculated Property
Pvap 6.00 kPa 371.46 Calculated Property
Pvap 11.45 kPa 386.63 Calculated Property
Pvap 20.60 kPa 401.80 Calculated Property
Pvap 35.22 kPa 416.98 Calculated Property
Pvap 57.60 kPa 432.15 Calculated Property
Pvap 90.58 kPa 447.32 Calculated Property
Pvap 137.59 kPa 462.49 Calculated Property
Pvap 202.65 kPa 477.66 Calculated Property

Similar Compounds

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

Find more compounds similar to Formic acid, heptyl ester.

Sources

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