Chemical Properties of 1-Phenyl-1-heptyne (CAS 14374-45-9)

1-Phenyl-1-heptyne

InChI
InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5H2,1H3
InChI Key
MDKGOJZZRHBMQU-UHFFFAOYSA-N
Formula
C13H16
SMILES
CCCCCC#Cc1ccccc1
Molecular Weight1
172.27
CAS
14374-45-9
Other Names
  • Benzene, 1-heptynyl-
  • 1-heptynylbenzene
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Physical Properties

Property Value Unit Source
ω 0.4102 Relay (1.0) Calculated Property
ΔfG° 373.79 kJ/mol Joback Calculated Property
ΔfH°gas 214.92 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 26.59 kJ/mol Joback Calculated Property
ΔvapH° 60.51 kJ/mol Relay (1.0) Calculated Property
IE 8.24 eV Relay (1.0) Calculated Property
log10WS -4.76 Relay (1.0) Calculated Property
logPoct/wat 3.618 Crippen Calculated Property
McVol 161.670 ml/mol McGowan Calculated Property
Pc 2563.69 kPa Joback Calculated Property
Tboil 509.77 K Relay (1.0) Calculated Property
Tc 721.01 K Relay (1.0) Calculated Property
Tfus 227.02 K Relay (1.0) Calculated Property
Vc 0.596 m3/kmol Relay (1.0) Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 399.50 ± 0.50 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [207.11; 510.36] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.52760e+01
Coefficient B1.01012e+00
Coefficient C-6.22460e-04
Coefficient D1.47980e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 207.11 J/mol×K 273.00 Calculated Property
Cp,gas 260.73 J/mol×K 353.78 Calculated Property
Cp,gas 308.28 J/mol×K 434.56 Calculated Property
Cp,gas 350.22 J/mol×K 515.33 Calculated Property
Cp,gas 387.02 J/mol×K 596.11 Calculated Property
Cp,gas 419.16 J/mol×K 676.89 Calculated Property
Cp,gas 447.09 J/mol×K 757.67 Calculated Property
Cp,gas 471.29 J/mol×K 838.44 Calculated Property
Cp,gas 492.23 J/mol×K 919.22 Calculated Property
Cp,gas 510.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Phenyl-1-octyne. 1-Phenyl-1-nonyne. Benzene, 1-hexynyl-. 1-Phenyl-1-pentyne. Naphtho[1,8',8:c,d]cyclododeca-1,6-diyne. Naphtho[1,8',8:c,d]cycloundeca-1,5-diyne. 6-Phenyl-5-hexyn-3-ol. Naphtho[1,8',8:c,d]cyclodeca-1,5-diiyne. Isovalerylphenylacetylene. Benzene, 1-butynyl-. 7H-Dibenzo-8,9,10,11-tetrahydro-. Dibenzo[a,c]cyclododecene, 5,6,11,12-tetradehydro-7,8,9,10-tetrahydro-. 1-Phenylpenta-1-yn-3-one. 1-(Phenylethynyl)-1-cyclopentanol. 1-Phenyloct-2-yn-1-ol.

Find more compounds similar to 1-Phenyl-1-heptyne.

Sources

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