Chemical Properties of Butanedioic acid, dibutyl ester (CAS 141-03-7)

Butanedioic acid, dibutyl ester

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InChI
InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3
InChI Key
YUXIBTJKHLUKBD-UHFFFAOYSA-N
Formula
C12H22O4
SMILES
CCCCOC(=O)CCC(=O)OCCCC
Molecular Weight1
230.30
CAS
141-03-7
Other Names
  • B-9
  • Butanedioic acid, 1,4-dibutyl ester
  • Butyl butanedioate
  • DNBS
  • Di-n-butyl succinate
  • Di-n-butylester kyseliny jantarove
  • Dibutyl butanedioate
  • Dibutyl succinate
  • ENT 666
  • NSC 1502
  • Succinic acid di-n-butyl ester
  • Succinic acid, dibutyl ester
  • Tabatrex
  • Tabutrex
Sources

Physical Properties

Property Value Unit Source
Δf -417.68 kJ/mol Joback Calculated Property
Δfgas -780.61 kJ/mol Joback Calculated Property
Δfus 32.41 kJ/mol Joback Calculated Property
Δvap 60.62 kJ/mol Joback Calculated Property
logPoct/wat 2.45 Crippen Calculated Property
Pc 1927.05 kPa Joback Calculated Property
liquid 548.44 J/mol×K NIST
Tboil 408.00 ± 6.00 K NIST
Tboil 547.70 ± 1.00 K NIST
Tc 803.91 K Joback Calculated Property
Tfus 369.32 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 515.96 J/mol×K 626.54 Joback Calculated Property
Cp,liquid 436.24 J/mol×K 298.15 NIST
η 0.00 Pa×s 626.54 Joback Calculated Property
ΔfusH 29.21 kJ/mol 244.1 NIST
ΔfusH 29.21 kJ/mol 244.1 NIST
ΔfusH 29.21 kJ/mol 244.13 NIST
ΔfusS 119.60 J/mol×K 244.13 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH2- 8
>C=O (nonring) 2
-CH3 2

Similar Compounds

Succinic acid, butyl ethyl ester. ethyl propyl succinate. Butanedioic acid, dipropyl ester. Diamyl succinate. Butanedioic acid, dihexyl ester. Succinic acid, ethyl hexyl ester. Butanedioic acid, ethyl methyl ester. Diethyl succinate. Succinic acid, di(3-methylbutyl) ester. Succinic acid, butyl 3-methylbutyl ester. ethyl 3-methylbutyl succinate. Ethyl 4-acetoxybutanoate. Ethyl hydrogen succinate. Succinic acid, di(pent-4-enyl) ester. Succinic acid, pent-4-enyl propyl ester.

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