Chemical Properties of 2-Pentyne, 4,4-dimethyl- (CAS 999-78-0)

2-Pentyne, 4,4-dimethyl-

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InChI
InChI=1S/C7H12/c1-5-6-7(2,3)4/h1-4H3
InChI Key
FOALCTWKQSWRST-UHFFFAOYSA-N
Formula
C7H12
SMILES
CC#CC(C)(C)C
Molecular Weight1
96.17
CAS
999-78-0
Other Names
  • (tert-C4H9)C«equiv»CCH3
  • (tert-C4H9)C«equiv»CCH3
  • 1-TERT-BUTYL-PROPYNE
  • 4,4-Dimethyl-2-pentyne
  • Propyne, 1-tert-butyl-

Physical Properties

Property Value Unit Source
Δf 213.70 kJ/mol Joback Calculated Property
Δfgas 75.74 kJ/mol Joback Calculated Property
Δfus 9.59 kJ/mol Joback Calculated Property
Δvap 32.03 kJ/mol Joback Calculated Property
IE 9.28 ± 0.01 eV NIST
log10WS -2.31 Crippen Calculated Property
logPoct/wat 2.056 Crippen Calculated Property
McVol 100.890 ml/mol McGowan Calculated Property
Pc 3415.86 kPa Joback Calculated Property
Inp [612.00; 612.00]   Show Hide
Inp 612.00 NIST
Inp 612.00 NIST
Tboil [355.65; 356.15] K Show Hide
Tboil 356.00 K NIST
Tboil 356.15 ± 0.50 K NIST
Tboil 355.65 ± 2.00 K NIST
Tboil 356.10 ± 1.50 K NIST
Tc 567.06 K Joback Calculated Property
Tfus 190.78 ± 2.00 K NIST
Vc 0.379 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [172.92; 237.31] J/mol×K [365.33; 567.06] Show Hide
Cp,gas 172.92 J/mol×K 365.33 Joback Calculated Property
Cp,gas 185.20 J/mol×K 398.95 Joback Calculated Property
Cp,gas 196.81 J/mol×K 432.57 Joback Calculated Property
Cp,gas 207.81 J/mol×K 466.20 Joback Calculated Property
Cp,gas 218.20 J/mol×K 499.82 Joback Calculated Property
Cp,gas 228.03 J/mol×K 533.44 Joback Calculated Property
Cp,gas 237.31 J/mol×K 567.06 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [257.83; 381.47] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.35592e+01
Coefficient B-2.69400e+03
Coefficient C-5.48390e+01
Temperature range, min.257.83
Temperature range, max.381.47
Pvap 1.33 kPa 257.83 Calculated Property
Pvap 3.09 kPa 271.57 Calculated Property
Pvap 6.49 kPa 285.31 Calculated Property
Pvap 12.52 kPa 299.04 Calculated Property
Pvap 22.53 kPa 312.78 Calculated Property
Pvap 38.21 kPa 326.52 Calculated Property
Pvap 61.59 kPa 340.26 Calculated Property
Pvap 95.00 kPa 353.99 Calculated Property
Pvap 141.07 kPa 367.73 Calculated Property
Pvap 202.64 kPa 381.47 Calculated Property

Similar Compounds

di-t-Butylacetylene. Pent-2-ynal, 4,4-dimethyl-. 2,2,5,5,8,8-Hexamethylnona-3,6-diyne. 3-Hexyne, 2,2-dimethyl-. 1-Butyne, 3,3-dimethyl-. Dodecamethyl-[6]pericyclyne. Decamethyl-[5]pericyclyne. 3-Hexyne, 2,2,5-trimethyl. 2,2,9,9-Tetramethyldec-5-ene-3,7-diyne. 4-Methyl-2-pentyne. 3-Heptyne, 2,2,6,6-tetramethyl. Neopentyl radical. Neopentane. 3-Hexyne, 2,5-dimethyl-. 3-Heptyne, 2,2,5,5,6,6-hexamethyl.

Find more compounds similar to 2-Pentyne, 4,4-dimethyl-.

Sources

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