Chemical Properties of Paraldehyde (CAS 123-63-7)

Paraldehyde

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChI Key
SQYNKIJPMDEDEG-UHFFFAOYSA-N
Formula
C6H12O3
SMILES
CC1OC(C)OC(C)O1
Molecular Weight1
132.16
CAS
123-63-7
Other Names
  • 1,3,5-Trimethyl-2,4,6-trioxane
  • 1,3,5-Trioxane, 2,4,6-trimethyl-
  • 2,4,6-Trimethyl-1,3,5-trioxaan
  • 2,4,6-Trimethyl-1,3,5-trioxacyclohexane
  • 2,4,6-Trimethyl-1,3,5-trioxan
  • 2,4,6-Trimethyl-1,3,5-trioxane
  • 2,4,6-Trimethyl-s-trioxane
  • 2,4,6-Trimetil-1,3,5-triossano
  • Acetaldehyde trimer
  • Elaldehyde
  • NSC 9799
  • Paraacetaldehyde
  • Paracetaldehyde
  • Paral
  • Paraldehyd
  • Paraldeide
  • Pcho
  • Rcra waste number U182
  • Triacetaldehyde
  • Trimethyl trioxane
  • UN 1264
  • s-Trimethyltrioxymethylene
  • s-Trioxane, 2,4,6-trimethyl-
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3394.20 ± 2.60 kJ/mol NIST
Δcliquid -3389.00 kJ/mol NIST
Δcliquid -3390.00 ± 2.00 kJ/mol NIST
Δf -249.69 kJ/mol Joback Calculated Property
Δfgas -636.00 ± 3.00 kJ/mol NIST
Δfliquid -681.80 ± 2.60 kJ/mol NIST
Δfus 29.21 kJ/mol Joback Calculated Property
Δvap 45.80 kJ/mol NIST
Δvap 41.00 ± 0.40 kJ/mol NIST
logPoct/wat 1.09 Crippen Calculated Property
Pc 3534.66 kPa Joback Calculated Property
gas 374.40 ± 5.00 J/mol×K NIST
liquid 289.40 J/mol×K NIST
Tboil [395.00; 401.15] K Show Hide
Tboil 397.15 K NIST
Tboil Outlier 401.15 ± 0.50 K NIST
Tboil 397.15 ± 1.00 K NIST
Tboil 395.00 ± 1.00 K NIST
Tboil 397.20 ± 1.50 K NIST
Tboil 396.50 ± 1.00 K NIST
Tc 563.00 ± 4.00 K NIST
Tfus [284.15; 286.00] K Show Hide
Tfus 285.75 K NIST
Tfus 284.15 ± 1.00 K NIST
Tfus 285.65 ± 0.20 K NIST
Tfus 286.00 ± 0.50 K NIST
Tfus 285.70 ± 0.10 K NIST
Ttriple 285.70 ± 0.10 K NIST
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 223.56 J/mol×K 427.74 Joback Calculated Property
Cp,liquid 250.20 J/mol×K 298.0 NIST
Cp,liquid 257.30 J/mol×K 298.15 NIST
Cp,liquid 254.00 J/mol×K 306.6 NIST
η 0.00 Pa×s 427.74 Joback Calculated Property
ΔfusH 0.26 kJ/mol 142.7 NIST
ΔfusH 0.77 kJ/mol 147.5 NIST
ΔfusH 13.52 kJ/mol 285.7 NIST
ΔvapH 41.50 kJ/mol 359.5 NIST
ΔfusS 1.81 J/mol×K 142.7 NIST
ΔfusS 5.24 J/mol×K 147.5 NIST
ΔfusS 47.32 J/mol×K 285.7 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 3
-CH3 3
>CH- (ring) 3

Similar Compounds

cis-2,4,6-Trimethyl-1,3,5-trioxane. Acetaldehyde, tetramer. s-Trioxane, 2,4,6-triethyl-. 2,4,6-Triethyl-[1,3,5]trioxane, stereoisomer 1. Ethane, 1,1-diethoxy-. Ethane, 1-ethoxy-1-methoxy-. P-n-butyraldehyde. 1,3,5-Trioxane, 2,4,6-tris(1-methylethyl)-. 2,4,6-Tri-isopropyl-[1,3,5]trioxane, stereoisomer 1. Ethane, 2-bromo-1,1-diethoxy-. Propane, 1-(1-ethoxyethoxy)-. Propane, 1,1'-[ethylidenebis(oxy)]bis-. Propane, 1,1-diethoxy-. Ethane, 2-chloro-1,1-diethoxy-. Propargylaldehyde diethyl acetal.

Find more compounds similar to Paraldehyde.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.