Chemical Properties of Benzene, 4-[(4-butylphenyl)ethynyl]-1,2-difluoro- (CAS 109970-65-2)

Benzene, 4-[(4-butylphenyl)ethynyl]-1,2-difluoro-

InChI
InChI=1S/C18H16F2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-17(19)18(20)13-16/h5-8,11-13H,2-4H2,1H3
InChI Key
OAAKQGAJMFRMHO-UHFFFAOYSA-N
Formula
C18H16F2
SMILES
CCCCc1ccc(C#Cc2ccc(F)c(F)c2)cc1
Molecular Weight1
270.32
CAS
109970-65-2
Other Names
  • 4-n-butyl-3',4'-difluorodiphenylacetylene
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Physical Properties

Property Value Unit Source
ω 0.5728 Relay (1.0) Calculated Property
ΔfG° 109.79 kJ/mol Joback Calculated Property
ΔfH°gas -57.48 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.57 kJ/mol Joback Calculated Property
ΔvapH° 83.42 kJ/mol Relay (1.0) Calculated Property
IE 8.25 eV Relay (1.0) Calculated Property
log10WS -7.07 Relay (1.0) Calculated Property
logPoct/wat 4.707 Crippen Calculated Property
McVol 211.900 ml/mol McGowan Calculated Property
Pc 1959.60 kPa Joback Calculated Property
Tboil 588.48 K Relay (1.0) Calculated Property
Tc 815.25 K Relay (1.0) Calculated Property
Tfus 283.89 K Relay (1.0) Calculated Property
Vc 0.775 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 25.30 kJ/mol 323.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [279.97; 654.81] 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-8.64700e+00
Coefficient B1.25132e+00
Coefficient C-7.57340e-04
Coefficient D1.69480e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 279.97 J/mol×K 273.00 Calculated Property
Cp,gas 346.76 J/mol×K 353.78 Calculated Property
Cp,gas 406.01 J/mol×K 434.56 Calculated Property
Cp,gas 458.27 J/mol×K 515.33 Calculated Property
Cp,gas 504.06 J/mol×K 596.11 Calculated Property
Cp,gas 543.92 J/mol×K 676.89 Calculated Property
Cp,gas 578.39 J/mol×K 757.67 Calculated Property
Cp,gas 608.01 J/mol×K 838.44 Calculated Property
Cp,gas 633.30 J/mol×K 919.22 Calculated Property
Cp,gas 654.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

Hexakis[(4-pentylphenyl)ethynyl]benzene. Hexakis[(4-hexylphenyl)ethynyl]benzene. Benzene, 1,4-dibutyl. Benzene, 1-butyl-4-propyl. 1-Butyl-4-methylbenzene. Benzene, 1-butyl-4-ethyl. 4-Butylbenzoic acid. 4-Butylbenzoic acid, methyl ester. 4-Butylbenzonitrile. Benzoyl chloride, 4-butyl-. 4-Butylbenzoic acid, ethyl ester. p-n-Butylacetophenone. Benzene, 1-pentyl-4-propyl. Benzaldehyde, 4-pentyl-. Benzene, 1-methyl-4-pentyl.

Find more compounds similar to Benzene, 4-[(4-butylphenyl)ethynyl]-1,2-difluoro-.

Sources

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