Chemical Properties of 1H-Pyrrole, 2,5-dimethyl- (CAS 625-84-3)

1H-Pyrrole, 2,5-dimethyl-

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InChI
InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3
InChI Key
PAPNRQCYSFBWDI-UHFFFAOYSA-N
Formula
C6H9N
SMILES
Cc1ccc(C)[nH]1
Molecular Weight1
95.14
CAS
625-84-3
Other Names
  • 2,5-DIMETHYL-1H-PYRROLE
  • 2,5-DIMETHYLPYRROLE
  • Pyrrole, 2,5-dimethyl-
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Physical Properties

Property Value Unit Source
ω 0.4460 KDB
PAff 918.70 kJ/mol NIST
BasG 887.10 kJ/mol NIST
Δcliquid -3630.50 ± 0.75 kJ/mol NIST
Δfgas 39.70 ± 0.88 kJ/mol NIST
Δfliquid -16.80 ± 0.84 kJ/mol NIST
Δvap [56.50; 56.50] kJ/mol Show Hide
Δvap 56.50 ± 0.20 kJ/mol NIST
Δvap 56.50 kJ/mol NIST
IE 7.69 eV NIST
log10WS -1.64 Crippen Calculated Property
logPoct/wat 1.150 Crippen Calculated Property
McVol 85.920 ml/mol McGowan Calculated Property
Pc 5100.00 kPa KDB
Inp [867.00; 937.00]   Show Hide
Inp 900.00 NIST
Inp 898.00 NIST
Inp 890.00 NIST
Inp 898.00 NIST
Inp Outlier 937.00 NIST
Inp 867.00 NIST
Inp 900.00 NIST
Inp 902.00 NIST
Inp 900.00 NIST
I [1579.00; 1635.00]   Show Hide
I 1590.00 NIST
I 1600.00 NIST
I 1610.00 NIST
I 1589.00 NIST
I 1579.00 NIST
I Outlier 1635.00 NIST
I 1589.00 NIST
I 1601.00 NIST
I 1601.00 NIST
liquid [212.13; 212.24] J/mol×K Show Hide
liquid 212.24 J/mol×K NIST
liquid 212.13 J/mol×K NIST
liquid 212.13 J/mol×K NIST
Tboil 405.50 K KDB
Tc [661.00; 662.00] K Show Hide
Tc 661.00 K KDB
Tc 662.00 K Thermod...
Tfus 280.90 K NIST
Ttriple [279.91; 280.90] K Show Hide
Ttriple 280.83 ± 0.04 K NIST
Ttriple 280.90 ± 0.02 K NIST
Ttriple 279.91 ± 0.05 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [195.30; 195.30] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 195.30 J/mol×K 298.15 NIST
Cp,liquid 195.30 J/mol×K 298.15 NIST
Cp,liquid 195.30 J/mol×K 298.15 NIST
ΔfusH [9.30; 9.30] kJ/mol [280.90; 280.90] Show Hide
ΔfusH 9.30 kJ/mol 280.90 NIST
ΔfusH 9.30 kJ/mol 280.90 NIST
ΔfusH 9.30 kJ/mol 280.90 NIST
ΔfusH 9.30 kJ/mol 280.90 NIST
ΔvapH 49.50 kJ/mol 208.00 NIST
ΔfusS [33.09; 33.10] J/mol×K [280.90; 280.90] Show Hide
ΔfusS 33.10 J/mol×K 280.90 NIST
ΔfusS 33.09 J/mol×K 280.90 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [324.70; 438.20] K [1.00; 98.70] Show Hide
Tboilr 324.70 K 1.00 NIST
Tboilr 438.20 K 98.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [332.82; 461.96] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.57451e+01
Coefficient B-4.14564e+03
Coefficient C-6.46240e+01
Temperature range, min.332.82
Temperature range, max.461.96
Pvap 1.33 kPa 332.82 Calculated Property
Pvap 2.92 kPa 347.17 Calculated Property
Pvap 5.94 kPa 361.52 Calculated Property
Pvap 11.31 kPa 375.87 Calculated Property
Pvap 20.34 kPa 390.22 Calculated Property
Pvap 34.81 kPa 404.56 Calculated Property
Pvap 57.04 kPa 418.91 Calculated Property
Pvap 89.95 kPa 433.26 Calculated Property
Pvap 137.09 kPa 447.61 Calculated Property
Pvap 202.66 kPa 461.96 Calculated Property

Similar Compounds

1H-Pyrrole-2-carboxaldehyde, 5-methyl-. 1H-Pyrrole, 2-methyl-. 1H-Pyrrole, 2-ethyl-5-methyl. 1H-Pyrrole, 2,5-diethyl-. 1H-Pyrrole, 2,3,5-trimethyl-. 1,2,5-Trimethylpyrrole. 2,6-Lutidine. 2(1H)-Pyridone, 6-methyl-. 1,5-Dimethyl-2-pyrrolecarbonitrile. 2-Formyl-4,5-dimethyl-pyrrole. 2-Cyano-6-methyl pyridine. 1H-Pyrrole, 2,3-dimethyl-. 1H-Pyrrole-2-carboxaldehyde. 1H-Pyrrole, 2,4-dimethyl-. Pyridine, 2,3,6-trimethyl-.

Find more compounds similar to 1H-Pyrrole, 2,5-dimethyl-.

Sources

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