Chemical Properties of 1,4-Benzenedicarboxylic acid dimethyl ester (CAS 120-61-6)

1,4-Benzenedicarboxylic acid dimethyl ester

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InChI
InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
InChI Key
WOZVHXUHUFLZGK-UHFFFAOYSA-N
Formula
C10H10O4
SMILES
COC(=O)c1ccc(C(=O)OC)cc1
Molecular Weight1
194.18
CAS
120-61-6
Other Names
  • 1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester
  • DMT
  • Dimethyl 1,4-benzenedicarboxylate
  • Dimethyl ester of 1,4-benzenedicarboxylic acid
  • Dimethyl p-benzenedicarboxylate
  • Dimethyl p-phthalate
  • Dimethyl terephthalate
  • Dimethyl terphthalate
  • Dimethylester kyseliny isoftalove
  • Dimethylester kyseliny tereftalove
  • Methyl 4-(carbomethoxy)benzoate
  • Methyl p-(methoxycarbonyl)benzoate
  • NCI-C50055
  • NSC 3503
  • Terephthalate, dimethyl
  • Terephthalic acid, dimethyl ester
Sources

Physical Properties

Property Value Unit Source
PAff 843.20 kJ/mol NIST
BasG 812.30 kJ/mol NIST
Δcsolid -4631.66 ± 0.88 kJ/mol NIST
EA 0.82 ± 0.09 eV NIST
EA 0.82 ± 0.09 eV NIST
EA 0.64 eV NIST
Δf -331.74 kJ/mol Joback Calculated Property
Δfgas -514.27 kJ/mol Joback Calculated Property
Δfsolid -710.00 kJ/mol NIST
Δfsolid -732.60 ± 1.00 kJ/mol NIST
Δfus 20.88 kJ/mol Joback Calculated Property
Δsub 104.60 ± 0.30 kJ/mol NIST
Δsub 104.60 ± 0.30 kJ/mol NIST
Δvap 59.10 kJ/mol Joback Calculated Property
IE 9.78 ± 0.03 eV NIST
logPoct/wat 1.260 Crippen Calculated Property
Pc 3191.93 kPa Joback Calculated Property
Tboil 612.44 K Joback Calculated Property
Tc 831.50 K Joback Calculated Property
Tfus [413.00; 415.20] K Show Hide
Tfus 415.20 ± 0.20 K NIST
Tfus 413.80 ± 0.01 K NIST
Tfus 413.80 ± 0.20 K NIST
Tfus 413.00 ± 4.00 K NIST
Tfus 413.00 ± 1.50 K NIST
Vc 0.535 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 338.80 J/mol×K 612.44 Joback Calculated Property
Cp,solid 261.10 J/mol×K 298.15 NIST
Cp,solid 276.10 J/mol×K 353.0 NIST
η 0.0001823 Pa×s 612.44 Joback Calculated Property
ΔfusH [31.63; 32.10] kJ/mol [413.79; 415.40] Show Hide
ΔfusH 31.63 kJ/mol 413.79 NIST
ΔfusH 32.10 kJ/mol 413.8 NIST
ΔfusH 32.09 kJ/mol 413.8 NIST
ΔfusH 32.00 kJ/mol 415.4 NIST
ΔsubH 103.80 ± 0.30 kJ/mol 320.5 NIST
ΔsubH 94.40 kJ/mol 393.0 NIST
ΔsubH 88.30 kJ/mol 393.0 NIST
ΔvapH 62.00 kJ/mol 468.0 NIST
ΔfusS 76.44 J/mol×K 413.79 NIST
ΔfusS 77.60 J/mol×K 413.8 NIST
ΔfusS 77.00 J/mol×K 415.4 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< (ring) 2
>C=O (nonring) 2
-CH3 2
=CH- (ring) 4

Similar Compounds

4-HC(O)-C6H4-COOCH3. Benzoic acid, 4-methyl-, methyl ester. Diethyl p-phthalate. ETHYL 4-METHYLBENZOATE. 1,4-Benzenedicarboxylic acid, di-2-propenyl ester. Benzoic acid, 4-ethyl-, methyl ester. Benzoic acid, methyl ester. Dipropyl terephthalate. 4-Cyanobenzoic acid methyl ester. 1,4-Benzenedicarboxylic acid. Terephthalic acid, di(but-2-enyl) ester. 1,4-Benzenedicarboxylic acid, [4-(methoxycarbonyl)phenyl]methyl methyl ester. Benzoic acid, 4-formyl-. Benzoic acid, ethyl ester. Benzoic acid, 4-methyl-.

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