Chemical Properties of Propanal, 2,2-dimethyl- (CAS 630-19-3)

Propanal, 2,2-dimethyl-

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InChI
InChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3
InChI Key
FJJYHTVHBVXEEQ-UHFFFAOYSA-N
Formula
C5H10O
SMILES
CC(C)(C)C=O
Molecular Weight1
86.13
CAS
630-19-3
Other Names
  • Pivalaldehyde
  • «alpha»,«alpha»-Dimethylpropionaldehyde
  • Neopentanal
  • Pivalic aldehyde
  • Trimethylacetaldehyde
  • 2,2-Dimethylpropanal
  • 2,2-Dimethylpropionaldehyde
  • tert-C4H9CHO
  • Pivaldehyde
  • NSC 22043
  • tert-Valeraldehyde

Physical Properties

Property Value Unit Source
EA 5.21e-04 eV NIST
Δf -105.46 kJ/mol Joback Calculated Property
Δfgas -240.86 kJ/mol Joback Calculated Property
Δfus 3.58 kJ/mol Joback Calculated Property
Δvap 32.15 kJ/mol Joback Calculated Property
IE [9.50; 9.51] eV Show Hide
IE 9.51 ± 0.01 eV NIST
IE 9.51 eV NIST
IE 9.50 ± 0.01 eV NIST
IE 9.51 ± 0.01 eV NIST
log10WS -0.95 Crippen Calculated Property
logPoct/wat 1.231 Crippen Calculated Property
McVol 82.880 ml/mol McGowan Calculated Property
Pc 3881.95 kPa Joback Calculated Property
Inp [564.00; 586.08]   Show Hide
Inp 586.08 NIST
Inp 580.50 NIST
Inp 581.71 NIST
Inp 583.28 NIST
Inp 584.49 NIST
Inp 586.00 NIST
Inp 582.00 NIST
Inp 583.00 NIST
Inp 584.00 NIST
Inp Outlier 564.00 NIST
Inp 575.00 NIST
Inp 582.00 NIST
Inp Outlier 566.00 NIST
I [807.00; 835.60]   Show Hide
I 835.60 NIST
I 822.60 NIST
I 826.70 NIST
I 831.10 NIST
I 809.00 NIST
I 807.00 NIST
I 809.00 NIST
liquid 262.05 J/mol×K NIST
Tboil 359.23 K Joback Calculated Property
Tc 544.03 K Joback Calculated Property
Tfus [276.00; 279.00] K Show Hide
Tfus 277.00 ± 0.60 K NIST
Tfus 279.00 ± 3.00 K NIST
Tfus 276.00 ± 3.00 K NIST
Tfus 279.00 ± 2.00 K NIST
Tfus 276.00 ± 4.00 K NIST
Ttriple 272.10 ± 0.20 K NIST
Vc 0.322 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [145.50; 197.13] J/mol×K [359.23; 544.03] Show Hide
Cp,gas 145.50 J/mol×K 359.23 Joback Calculated Property
Cp,gas 155.34 J/mol×K 390.03 Joback Calculated Property
Cp,gas 164.66 J/mol×K 420.83 Joback Calculated Property
Cp,gas 173.48 J/mol×K 451.63 Joback Calculated Property
Cp,gas 181.81 J/mol×K 482.43 Joback Calculated Property
Cp,gas 189.69 J/mol×K 513.23 Joback Calculated Property
Cp,gas 197.13 J/mol×K 544.03 Joback Calculated Property
Cp,liquid [185.58; 192.80] J/mol×K [298.15; 298.43] Show Hide
Cp,liquid 185.58 J/mol×K 298.15 NIST
Cp,liquid 192.80 J/mol×K 298.43 NIST
η [0.0003603; 0.0071887] Pa×s [190.53; 359.23] Show Hide
η 0.0071887 Pa×s 190.53 Joback Calculated Property
η 0.0031673 Pa×s 218.65 Joback Calculated Property
η 0.0016821 Pa×s 246.76 Joback Calculated Property
η 0.0010168 Pa×s 274.88 Joback Calculated Property
η 0.0006748 Pa×s 303.00 Joback Calculated Property
η 0.0004801 Pa×s 331.11 Joback Calculated Property
η 0.0003603 Pa×s 359.23 Joback Calculated Property
ΔfusH [0.50; 4.81] kJ/mol [158.50; 272.10] Show Hide
ΔfusH 0.50 kJ/mol 158.50 NIST
ΔfusH 4.81 kJ/mol 183.90 NIST
ΔfusH 2.52 kJ/mol 272.10 NIST
ΔfusH 2.52 kJ/mol 272.10 NIST
ΔvapH 34.20 kJ/mol 322.00 NIST
ΔfusS [3.15; 26.15] J/mol×K [158.50; 272.10] Show Hide
ΔfusS 3.15 J/mol×K 158.50 NIST
ΔfusS 26.15 J/mol×K 183.90 NIST
ΔfusS 9.26 J/mol×K 272.10 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 347.20 K 97.30 NIST

Similar Compounds

Pivalyl chloride. Propanal, 2-methyl-. Neopentane. Neopentyl radical. 3-Pentanone, 2,2,4,4-tetramethyl-. Propanoic acid, 2,2-dimethyl-. 2-Butanone, 3,3-dimethyl-. 1-Phospha-1-butyne, 3,3-dimethyl-. Propanamide, 2,2-dimethyl-. Propanenitrile, 2,2-dimethyl-. 3,4-Pentadienal, 2,2-dimethyl-. 2,2-Dimethyl-3-hydroxypropionaldehyde. Dimethylmalonyl chloride. 1-Butyne, 3,3-dimethyl-. Pent-4-yn-3-one, 2,2-dimethyl-.

Find more compounds similar to Propanal, 2,2-dimethyl-.

Sources

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