Chemical Properties of 1-Butyne, 3,3-dimethyl- (CAS 917-92-0)

1-Butyne, 3,3-dimethyl-

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InChI
InChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3
InChI Key
PPWNCLVNXGCGAF-UHFFFAOYSA-N
Formula
C6H10
SMILES
C#CC(C)(C)C
Molecular Weight1
82.14
CAS
917-92-0
Other Names
  • (CH3)3CC«equiv»CH
  • (CH3)3CC«equiv»CH
  • 3,3,3-TRIMETHYLPROPYNE
  • 3,3-Dimethyl-1-Butyne
  • 3,3-Dimethylbutyne
  • 3,3-Dimethylbutyne-1
  • TERT-BUTYLACETYLENE
  • t-Butylacetylene

Physical Properties

Property Value Unit Source
Δcliquid [-3868.70; -3868.10] kJ/mol Show Hide
Δcliquid -3868.10 ± 1.30 kJ/mol NIST
Δcliquid -3868.70 ± 2.40 kJ/mol NIST
Δf 225.55 kJ/mol Joback Calculated Property
Δfgas [106.10; 107.00] kJ/mol Show Hide
Δfgas 106.10 kJ/mol NIST
Δfgas 107.00 ± 1.30 kJ/mol NIST
Δfgas 106.70 kJ/mol NIST
Δfliquid [77.80; 78.50] kJ/mol Show Hide
Δfliquid 77.90 ± 1.50 kJ/mol NIST
Δfliquid 77.80 ± 1.30 kJ/mol NIST
Δfliquid 78.50 ± 2.40 kJ/mol NIST
Δfus 6.86 kJ/mol Joback Calculated Property
Δvap [28.20; 29.20] kJ/mol Show Hide
Δvap 28.20 kJ/mol NIST
Δvap 29.20 kJ/mol NIST
IE [9.80; 10.67] eV Show Hide
IE 9.86 eV NIST
IE 9.80 ± 0.05 eV NIST
IE 9.92 ± 0.02 eV NIST
IE 9.92 ± 0.01 eV NIST
IE 10.67 ± 0.02 eV NIST
IE 10.31 ± 0.04 eV NIST
IE 10.21 eV NIST
log10WS -1.89 Crippen Calculated Property
logPoct/wat 1.666 Crippen Calculated Property
McVol 86.800 ml/mol McGowan Calculated Property
Pc 3777.68 kPa Joback Calculated Property
Inp [467.00; 509.00]   Show Hide
Inp 467.00 NIST
Inp 509.00 NIST
Inp 498.00 NIST
Tboil 323.57 K Joback Calculated Property
Tc 511.22 K Joback Calculated Property
Tfus [192.00; 194.94] K Show Hide
Tfus 194.94 ± 0.30 K NIST
Tfus 192.00 ± 1.50 K NIST
Tfus 192.00 ± 1.50 K NIST
Vc 0.323 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [138.60; 193.60] J/mol×K [323.57; 511.22] Show Hide
Cp,gas 138.60 J/mol×K 323.57 Joback Calculated Property
Cp,gas 149.19 J/mol×K 354.85 Joback Calculated Property
Cp,gas 159.18 J/mol×K 386.12 Joback Calculated Property
Cp,gas 168.58 J/mol×K 417.40 Joback Calculated Property
Cp,gas 177.44 J/mol×K 448.67 Joback Calculated Property
Cp,gas 185.77 J/mol×K 479.95 Joback Calculated Property
Cp,gas 193.60 J/mol×K 511.22 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [224.87; 332.80] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.35019e+01
Coefficient B-2.32506e+03
Coefficient C-4.89240e+01
Temperature range, min.224.87
Temperature range, max.332.80
Pvap 1.33 kPa 224.87 Calculated Property
Pvap 3.10 kPa 236.86 Calculated Property
Pvap 6.50 kPa 248.85 Calculated Property
Pvap 12.56 kPa 260.85 Calculated Property
Pvap 22.61 kPa 272.84 Calculated Property
Pvap 38.32 kPa 284.83 Calculated Property
Pvap 61.73 kPa 296.82 Calculated Property
Pvap 95.17 kPa 308.82 Calculated Property
Pvap 141.21 kPa 320.81 Calculated Property
Pvap 202.65 kPa 332.80 Calculated Property

Similar Compounds

di-t-Butylacetylene. 2-Pentyne, 4,4-dimethyl-. 2,2,5,5,8,8-Hexamethylnona-3,6-diyne. Neopentane. Neopentyl radical. Pent-2-ynal, 4,4-dimethyl-. 1-Butyne, 3-methyl-. Decamethyl-[5]pericyclyne. Dodecamethyl-[6]pericyclyne. Propanenitrile, 2,2-dimethyl-. 1-Phospha-1-butyne, 3,3-dimethyl-. 3-Hexyne, 2,2,5-trimethyl. 3-Hexyne, 2,2-dimethyl-. 2,2,9,9-Tetramethyldec-5-ene-3,7-diyne. Propanal, 2,2-dimethyl-.

Find more compounds similar to 1-Butyne, 3,3-dimethyl-.

Sources

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