Chemical Properties of 1,3-Propanediol (CAS 504-63-2)

1,3-Propanediol

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InChI
InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChI Key
YPFDHNVEDLHUCE-UHFFFAOYSA-N
Formula
C3H8O2
SMILES
OCCCO
Molecular Weight1
76.09
CAS
504-63-2
Other Names
  • 1,3-Dihydroxypropane
  • 1,3-Propylene glycol
  • 1,3-Propylenediol
  • 2-(Hydroxymethyl)ethanol
  • 2-Deoxyglycerol
  • NSC 65426
  • PG
  • Polypropylene glycol 425
  • Propane-1,3-diol
  • Propanediol-(1,3)
  • Trimethylene glycol
  • «beta»-Propylene glycol
  • «omega»-Propanediol
Sources

Physical Properties

Property Value Unit Source
PAff [837.90; 876.20] kJ/mol Show Hide
PAff 876.20 kJ/mol NIST
PAff 850.40 kJ/mol NIST
PAff 837.90 kJ/mol NIST
PAff 857.60 ± 0.50 kJ/mol NIST
BasG [808.00; 827.30] kJ/mol Show Hide
BasG 825.90 kJ/mol NIST
BasG 820.00 kJ/mol NIST
BasG 808.00 kJ/mol NIST
BasG 827.30 ± 0.20 kJ/mol NIST
Δcliquid -1843.00 ± 5.10 kJ/mol NIST
Δcliquid -1859.00 ± 2.30 kJ/mol NIST
Δf -299.26 kJ/mol Joback Calculated Property
Δfgas -408.40 ± 5.10 kJ/mol NIST
Δfgas -392.00 ± 3.00 kJ/mol NIST
Δfliquid -480.80 ± 5.10 kJ/mol NIST
Δfliquid -465.00 ± 3.00 kJ/mol NIST
Δfus 11.70 kJ/mol Joback Calculated Property
Δvap [65.20; 73.00] kJ/mol Show Hide
Δvap 66.50 kJ/mol NIST
Δvap 70.50 ± 0.20 kJ/mol NIST
Δvap 69.10 ± 0.20 kJ/mol NIST
Δvap 70.60 ± 0.50 kJ/mol NIST
Δvap 72.40 kJ/mol NIST
Δvap 72.40 ± 0.30 kJ/mol NIST
Δvap 72.40 ± 0.30 kJ/mol NIST
Δvap 70.10 ± 0.30 kJ/mol NIST
Δvap 73.00 kJ/mol NIST
Δvap 71.40 kJ/mol NIST
Δvap Outlier 65.20 kJ/mol NIST
logPoct/wat -0.639 Crippen Calculated Property
Pc 5721.86 kPa Joback Calculated Property
Tboil [383.20; 489.65] K Show Hide
Tboil Outlier 383.20 K NIST
Tboil 487.00 K NIST
Tboil 486.70 K NIST
Tboil 488.05 ± 0.05 K NIST
Tboil 459.00 ± 2.00 K NIST
Tboil 486.65 ± 1.00 K NIST
Tboil 488.15 ± 2.00 K NIST
Tboil 486.65 ± 1.00 K NIST
Tboil 487.85 ± 0.70 K NIST
Tboil 483.65 ± 3.00 K NIST
Tboil 487.00 ± 3.00 K NIST
Tboil 489.65 ± 3.00 K NIST
Tboil 489.15 ± 3.00 K NIST
Tc 611.56 K Joback Calculated Property
Tfus 332.00 ± 2.00 K NIST
Tfus 246.50 ± 0.60 K NIST
Tfus 241.15 ± 0.70 K NIST
Ttriple 245.50 ± 0.10 K NIST
Vc 0.241 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 135.27 J/mol×K 452.4 Joback Calculated Property
η 0.0001718 Pa×s 452.4 Joback Calculated Property
ΔfusH 11.40 kJ/mol 249.0 NIST
ΔvapH [57.20; 73.00] kJ/mol [273.00; 460.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 57.86 kJ/mol 273.0 NIST
ΔvapH 73.00 ± 2.00 kJ/mol 383.0 NIST
ΔvapH 57.20 kJ/mol 390.0 NIST
ΔvapH 63.30 kJ/mol 408.0 NIST
ΔvapH 60.40 kJ/mol 460.5 NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 2
-CH2- 3

Similar Compounds

CH2CH2CH2OH. 1-Propanol. Propane-1,3-diol, 2-methyl-. 1-Propanol, 2-methyl-. Tris(isobutoxo)oxovanadium. Vanadium, tributoxyoxo-, (T-4)-. 1-Butanol. Trimethylene glycol monomethyl ether. 1,2,3-Propanetriol. 1,3-Propanediol, 2-(hydroxymethyl)-. Titanium(IV) isopropoxide. Isopropyl alcohol. (S)-butan-2-ol. Polyglycol p-750 (dow). (S)-(+)-1,2-Propanediol.

Find more compounds similar to 1,3-Propanediol.

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