Chemical Properties of n-Propyl benzoate (CAS 2315-68-6)

n-Propyl benzoate

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InChI
InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key
UDEWPOVQBGFNGE-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CCCOC(=O)c1ccccc1
Molecular Weight1
164.20
CAS
2315-68-6
Other Names
  • Benzoate de propyle
  • Benzoic acid n-propyl ester
  • Benzoic acid, propyl ester
  • Propyl benzenecarboxylate
  • Propyl benzoate
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Physical Properties

Property Value Unit Source
Δf -88.19 kJ/mol Joback Calculated Property
Δfgas -258.00 kJ/mol Joback Calculated Property
Δfus 18.48 kJ/mol Joback Calculated Property
Δvap 49.29 kJ/mol Joback Calculated Property
log10WS -2.67 Aq. Sol...
logPoct/wat 2.253 Crippen Calculated Property
McVol 135.440 ml/mol McGowan Calculated Property
Pc 2600.00 kPa Critica...
Inp [1236.00; 1287.24]   Show Hide
Inp 1266.05 NIST
Inp Outlier 1287.24 NIST
Inp 1249.00 NIST
Inp 1248.00 NIST
Inp 1248.00 NIST
Inp 1262.00 NIST
Inp 1264.00 NIST
Inp 1272.00 NIST
Inp 1276.00 NIST
Inp 1268.00 NIST
Inp 1245.00 NIST
Inp 1254.00 NIST
Inp 1262.00 NIST
Inp 1237.20 NIST
Inp 1249.00 NIST
Inp 1257.00 NIST
Inp 1247.00 NIST
Inp 1252.00 NIST
Inp 1254.00 NIST
Inp 1241.00 NIST
Inp 1238.00 NIST
Inp 1236.00 NIST
Inp 1247.00 NIST
Inp 1247.00 NIST
Inp Outlier 1284.00 NIST
Inp 1247.00 NIST
Inp 1238.00 NIST
Inp 1254.00 NIST
Inp 1254.00 NIST
Inp 1237.20 NIST
I [1742.00; 1818.00]   Show Hide
I 1791.00 NIST
I 1812.00 NIST
I 1777.00 NIST
I 1791.00 NIST
I 1818.00 NIST
I 1742.00 NIST
I 1757.00 NIST
I 1753.00 NIST
I 1745.00 NIST
I 1745.00 NIST
Tboil [503.00; 504.10] K Show Hide
Tboil 503.00 K NIST
Tboil 503.00 K NIST
Tboil 504.00 ± 0.30 K NIST
Tboil 504.00 ± 0.50 K NIST
Tboil 504.10 ± 0.50 K NIST
Tboil 503.90 ± 1.00 K NIST
Tc 743.85 K Joback Calculated Property
Tfus 221.55 K Aq. Sol...
Vc 0.511 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [300.47; 370.98] J/mol×K [531.17; 743.85] Show Hide
Cp,gas 300.47 J/mol×K 531.17 Joback Calculated Property
Cp,gas 314.07 J/mol×K 566.62 Joback Calculated Property
Cp,gas 326.90 J/mol×K 602.06 Joback Calculated Property
Cp,gas 338.99 J/mol×K 637.51 Joback Calculated Property
Cp,gas 350.35 J/mol×K 672.95 Joback Calculated Property
Cp,gas 361.01 J/mol×K 708.40 Joback Calculated Property
Cp,gas 370.98 J/mol×K 743.85 Joback Calculated Property
η [0.0002164; 0.0023380] Pa×s [301.04; 531.17] Show Hide
η 0.0023380 Pa×s 301.04 Joback Calculated Property
η 0.0012567 Pa×s 339.39 Joback Calculated Property
η 0.0007662 Pa×s 377.75 Joback Calculated Property
η 0.0005118 Pa×s 416.11 Joback Calculated Property
η 0.0003660 Pa×s 454.46 Joback Calculated Property
η 0.0002757 Pa×s 492.81 Joback Calculated Property
η 0.0002164 Pa×s 531.17 Joback Calculated Property
ΔvapH [52.70; 60.20] kJ/mol [408.50; 415.50] Show Hide
ΔvapH 60.20 kJ/mol 408.50 NIST
ΔvapH 52.70 kJ/mol 408.50 NIST
ΔvapH 53.80 kJ/mol 415.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 502.70 K 102.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [371.82; 535.80] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54795e+01
Coefficient B-5.04184e+03
Coefficient C-3.99400e+01
Temperature range, min.371.82
Temperature range, max.535.80
Pvap 1.33 kPa 371.82 Calculated Property
Pvap 2.94 kPa 390.04 Calculated Property
Pvap 5.99 kPa 408.26 Calculated Property
Pvap 11.43 kPa 426.48 Calculated Property
Pvap 20.55 kPa 444.70 Calculated Property
Pvap 35.15 kPa 462.92 Calculated Property
Pvap 57.51 kPa 481.14 Calculated Property
Pvap 90.48 kPa 499.36 Calculated Property
Pvap 137.51 kPa 517.58 Calculated Property
Pvap 202.67 kPa 535.80 Calculated Property

Similar Compounds

Dipropyl terephthalate. 1,3-Propanediol dibenzoate. Dipropyl isophthalate. Benzoic acid, 3-hydroxypropyl ester. Butyl benzoate. Terephthalic acid, propyl 2,2,2-trifluoroethyl ester. 4-Chlorobenzoic acid, propyl ester. Benzoic acid, 2-methylpropyl ester. Terephthalic acid, 2-fluoroethyl propyl ester. 3-[3-(Benzoyloxy)propoxy]propyl benzoate. 1,4-Butanediol, dibenzoate. Isophthalic acid, neopentyl propyl ester. 1,2-Benzenedicarboxylic acid, dipropyl ester. Benzoic acid, 3-chloro, propyl ester. 3-Butenyl benzoate.

Find more compounds similar to n-Propyl benzoate.

Sources

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