Chemical Properties of Ethyl Vanillin (CAS 121-32-4)

Ethyl Vanillin

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InChI
InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
InChI Key
CBOQJANXLMLOSS-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
CCOc1cc(C=O)ccc1O
Molecular Weight1
166.17
CAS
121-32-4
Other Names
  • 2-Ethoxy-4-formylphenol
  • 3-Ethoxy-4-hydroxybenzadehyde (ethyl vanillin)
  • 3-Ethoxy-4-hydroxybenzaldehyde
  • 4-Hydroxy-3-ethoxybenzaldehyde
  • Benzaldehyde, 3-ethoxy-4-hydroxy-
  • Bourbonal
  • Ethavan
  • Ethovan
  • Ethylprotal
  • Ethylprotocatechualdehyde-3-ethyl ether
  • Ethylprotocatechuic aldehyde
  • NSC 1803
  • Protocatechuic aldehyde 3-ethyl ether
  • Protocatechuic aldehyde ethyl ether
  • Quantrovanil
  • Rhodiarome
  • Vanbeenol
  • Vanilal
  • Vanillal
  • Vanillin, ethyl-
  • Vanirom
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Physical Properties

Property Value Unit Source
Δf -231.46 kJ/mol Joback Calculated Property
Δfgas -399.14 kJ/mol Joback Calculated Property
Δfus 25.34 kJ/mol Influen...
Δvap 60.71 kJ/mol Joback Calculated Property
log10WS -1.77 Aq. Sol...
logPoct/wat 1.603 Crippen Calculated Property
McVol 127.220 ml/mol McGowan Calculated Property
Pc 4109.14 kPa Joback Calculated Property
Inp [1433.00; 1453.00]   Show Hide
Inp Outlier 1433.00 NIST
Inp 1452.00 NIST
Inp 1446.00 NIST
Inp 1453.00 NIST
Inp 1448.00 NIST
Inp 1448.00 NIST
Inp 1448.00 NIST
I [2414.00; 2514.00]   Show Hide
I 2514.00 NIST
I 2414.00 NIST
I 2514.00 NIST
Tboil 588.68 K Joback Calculated Property
Tc 812.18 K Joback Calculated Property
Tfus [350.40; 352.98] K Show Hide
Tfus 350.40 K Aq. Sol...
Tfus 352.98 K Solid-l...
Tfus 351.00 K Determi...
Vc 0.432 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [304.26; 359.35] J/mol×K [588.68; 812.18] Show Hide
Cp,gas 304.26 J/mol×K 588.68 Joback Calculated Property
Cp,gas 314.95 J/mol×K 625.93 Joback Calculated Property
Cp,gas 324.97 J/mol×K 663.18 Joback Calculated Property
Cp,gas 334.37 J/mol×K 700.43 Joback Calculated Property
Cp,gas 343.20 J/mol×K 737.68 Joback Calculated Property
Cp,gas 351.51 J/mol×K 774.93 Joback Calculated Property
Cp,gas 359.35 J/mol×K 812.18 Joback Calculated Property
η [0.0000432; 0.0008942] Pa×s [406.08; 588.68] Show Hide
η 0.0008942 Pa×s 406.08 Joback Calculated Property
η 0.0004525 Pa×s 436.51 Joback Calculated Property
η 0.0002502 Pa×s 466.95 Joback Calculated Property
η 0.0001488 Pa×s 497.38 Joback Calculated Property
η 0.0000939 Pa×s 527.81 Joback Calculated Property
η 0.0000623 Pa×s 558.25 Joback Calculated Property
η 0.0000432 Pa×s 588.68 Joback Calculated Property
ΔfusH 23.10 kJ/mol 349.80 NIST
ΔsubH 101.50 kJ/mol 317.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.57e-03; 3234.93] kPa [350.65; 748.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.75341e+02
Coefficient B-1.86800e+04
Coefficient C-2.20762e+01
Coefficient D6.79415e-06
Temperature range, min.350.65
Temperature range, max.748.00
Pvap 1.57e-03 kPa 350.65 Calculated Property
Pvap 0.06 kPa 394.80 Calculated Property
Pvap 0.80 kPa 438.95 Calculated Property
Pvap 6.19 kPa 483.10 Calculated Property
Pvap 31.00 kPa 527.25 Calculated Property
Pvap 112.81 kPa 571.40 Calculated Property
Pvap 324.90 kPa 615.55 Calculated Property
Pvap 786.65 kPa 659.70 Calculated Property
Pvap 1673.79 kPa 703.85 Calculated Property
Pvap 3234.93 kPa 748.00 Calculated Property

Similar Compounds

3,4-Diethoxybenzaldehyde. 4-Ethoxy-3-anisaldehyde. 1,4-Benzodioxan-6-carboxaldehyde. 2-Ethoxy-4-methylphenol. Vanillin. 3-Hydroxy-4-methoxybenzaldehyde, acetate. Vanillin, acetate. Benzaldehyde, 3-ethoxy-2-hydroxy-. 3-ethoxy-4-(trimethylsyliloxy)benzaldehyde. Benzaldehyde, 3-hydroxy-4-methoxy-. Benzaldehyde, 3-ethoxy-. Vanillin, trifluoroacetate. 3-Ethoxy-4-hydroxyphenylacetonitrile. Benzaldehyde, 3,4-dimethoxy-. 3-Ethoxy-4-hydroxyphenylacetic acid.

Find more compounds similar to Ethyl Vanillin.

Mixtures

Sources

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