- InChI
- InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
- InChI Key
- MVLGANVFCMOJHR-UHFFFAOYSA-N
- Formula
- C10H6
- SMILES
- C#Cc1ccc(C#C)cc1
- Molecular Weight1
- 126.15
- CAS
- 935-14-8
- Other Names
-
- Benzene,1,4-diethynyl-
- 1,4-Bis(ethynyl)benzene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 582.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 559.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.51 | kJ/mol | Joback Calculated Property |
| IE | 8.58 ± 0.02 | eV | NIST |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 1.649 | Crippen Calculated Property | |
| McVol | 110.800 | ml/mol | McGowan Calculated Property |
| Pc | 4077.71 | kPa | Joback Calculated Property |
| Tboil | 440.10 | K | Joback Calculated Property |
| Tc | 679.89 | K | Joback Calculated Property |
| Tfus | 335.34 | K | Joback Calculated Property |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.09; 253.94] | J/mol×K | [440.10; 679.89] | 
|
| Cp,gas | 198.09 | J/mol×K | 440.10 | Joback Calculated Property |
| Cp,gas | 209.35 | J/mol×K | 480.07 | Joback Calculated Property |
| Cp,gas | 219.75 | J/mol×K | 520.03 | Joback Calculated Property |
| Cp,gas | 229.36 | J/mol×K | 560.00 | Joback Calculated Property |
| Cp,gas | 238.22 | J/mol×K | 599.96 | Joback Calculated Property |
| Cp,gas | 246.40 | J/mol×K | 639.93 | Joback Calculated Property |
| Cp,gas | 253.94 | J/mol×K | 679.89 | Joback Calculated Property |
Similar Compounds
![1,4-Bis[(trimethylsilyl)ethynyl]benzene.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAAMMElEQVR4nO3df0zU9R/A8Td3Kh1OQ2pgYxhJSVvOyAx26pQpspr5H+o6LLdGNDGDAdqYxKxmQHEBC1zJ0K3Rz2VbhLWKP1xYLpupOQOJhrIMDiTgEAQFPt8/Pvs6177fQu79+fDj9Xz8Bbfz/foAzzvvPve5zwUZhqEAGRyTvQGAfcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEMSO3Ldu3ZqcnNzb22vDLEw7vb29ycnJW7dutWFWkGEYVs+IiIjo7Ozs6OiIiIiwehamHZ/Pt3DhwvDwcJ/PZ/WsWVYPkObatWs//vhjeXl5gOtkZmYmJCS4XC4tWwUTuWuWkZFx4sSJCxcuBLhOY2Oj2+0+fPiwlq2Cidx1OnXq1Hvvved0OisrK++5554Jr+Pz+bKyspqbm3fs2BEfH69xC4Ujd20Mw8jKyhobG3vppZcyMjICXO3SpUtFRUWZmZk//PBDUFCQli0ET1W1qampefrppyMiIpqbm+fPn29e2NraOjY2Ns4VHA7HfffdZ3599erVJUuWtLe319TUpKamWrLFU4OdT1WVYb3w8HClVEdHhw2zJsvAwMCiRYuUUocPH7718rlz547/bzF37txb/+2hQ4eUUpGRkVevXrX1h7FXR0eHUio8PNyGWTyY0aOwsLCtrW358uXPPPPMrZcvXrx4YGBgnIv87baxffv2d9555+TJk8XFxa+++qq2bZXMhpvUjL93b2trCwkJCQoKamho0Luy+cD9jjvuaG1t1bvy1GHnvTsHEWiQnZ09ODiYmpq6evVqvSu73W6PxzM0NLRnzx69Kwtlw01qZt+7Hz9+PCgoyOVyXbp0yYr1//jjD/NBzrFjx6xYf9Jx7z5tjI2NZWZmGoaRl5dnPlXVLjIy0rxrz8rKGh0dtWKEHOQekKqqqlOnTkVFReXk5Fg3Zffu3dHR0WfOnKmurrZuigTkPnF+v3/fvn1KKa/XGxISYt0gl8tVXFyslMrPz+fA0kCQ+8Tt27evo6Nj1apVKSkpVs/asmXL2rVru7q6XnvtNatnzWDkPkEtLS0HDhxwOBzl5eX2vMhfVlbmdDrffvvtwI8/E2tavsxUUVFx8eLF8V8/Ly/vrrvu0rsNmZmZw8PD6enpjz76qN6V/5+4uLhnn322qqoqJyenrq5O7+Ld3d2FhYXjv350dPQLL7ygdxvsYMPeH+07It1u9239jC0tLbpGm7755hul1Pz589vb2/Wu/M98Pl9oaKhS6ssvv9S7cktLy239St1ut67Rdu6ItPwQseHh4XPnzoWFhd17771NTU0PPfRQ4Gt++OGHly9fHv/1n3vuuTvvvDPwuaaRkZG4uLjz5897vd7s7Gxdy46T1+vNzc198MEHf/nll9mzZ+tatq+vr6qqavzXj4yMfOqpp7SM9vv9TU1NUVFR8+bN6+rqunmQnCUsvTFdvHhx2bJlO3fu3Lhx4+nTp0tKSiwdZ4+33npLKXX//fcPDQ3ZP/369euxsbFKqdLSUvuna3fs2LFHHnlk165dGzZsaGxs/OCDDywdZ23ulZWVBQUF5tfXr1+vqamxdJwNuru7w8LClFJHjx6drG0wH7iHhoZ2dnZO1jbo8vzzz3/66afm15cvX/76668tHffvuW/btm1i/294PJ4zZ84sWrTozTff7Ojo8Pv98fHxRUVFE1ttyZIlE/uHt1q7dm3gizidzjVr1lj6V/lXa9ascTqdU+QXMuE/TVFR0SeffBIbG1tdXd3f33/8+PG0tDSPxzOx1bZt2/avvzdrd0Q+/PDD33///djY2MqVK8+ePWvprMnS1taWnp7u9/utG+H3+9PT09va2qwbMVk2b9585MiR5ubmFStW9PT0WD7PhrsiwzC8Xm9+fn58fLw946zT3d1t7tOsq6szL0lKSlJK5ebmWjc0NzdXKZWUlGR++8UXXyilFixY0NXVZd1Qm23fvr24uDgtLc3SKdbm/v777+/fv7+6unrZsmX19fUzIHfDMEpLS9UtT1V//vlnh8MxZ86cCxcuWDGupaUlODjY4XCcPHnSMIzh4WHzqWpZWZkV42xWXFxcWlpaUVERGxtbW1trde7W7ogcGhpqaGjo7Ox0u93R0dGNjY0zaUdkSUmJeWRYWlpadXX1pk2bamtrdU25adOmTXV1dWlpaeaOwpKSkt27d8+YHZG9vb0NDQ0DAwPr1q0LCQmZ3jsiTQkJCTExMVeuXNG14KS/zPTtt98qpebNm2e+zOTz+cyb01dffaV3UH19vTnozz//vHXQTHqZ6cqVKzExMQkJCboW/Ad2HETQ2tra2dk5MjKia0GPx7Ny5crxX998JVKjpKSkjRs3Hj16tKCg4ODBg+Hh4Xv37t2zZ092dvb69et13emOjIxkZWUppQoKCsyz1uzdu7evr+/JJ5984okntIy4KTQ09LaOYY6OjtY1emRk5Pfff+/v79e14D+x4SY1I9/N9Ntvv5kPqX/66SfDMIaHh839ceXl5bpGlJWVKaViYmLMJwmnT592Op1z5sxpamrSNWIqsPMgAnKfOPMIglWrVo2NjRmG8fnnnyt9O0xu7gKqra01LzH3kefk5AS++JRC7tNDX1/fwoULlVIff/yxecnjjz+ulMrIyAh88R07diil1q9fb3770UcfmU309PQEvviUQu7TxrvvvquUioqKGhgYMAzj119/nT17ttPpPHv2bCDLnj9/ftasWbNmzTp37pxhGIODg+Zj5YMHD+rZ7qmE3KeN0dHRFStWKKVeeeUV85Jdu3YppdatWxfIssnJyUqpF1980fzWfItgXFzcyMhIoFs89ZD7dPK3E2/89ddfd999t1Lqs88+m9iCR44cUUqFhYWZu2458YZG5K7B5s2blVKpqanmtxUVFUqpxYsXX7t27XaXGh4efuCBB5RSlZWV5iXmIVNbtmzRucVTCblPMzdPmvfdd98ZhnHjxo2lS5cqpQoLC293KfMddEuXLr1x44bx35PmuVwuTpqnBbnr8fLLLyulli9fPjo6ahhGfX19SkrKBBptbW1NSUmpr683DGN0dNT8LIOb7xmYkch9+hkcHDTPInbo0CFda5onUeKE1xpx4g09XC7X66+/rpTKy8vTcux7f39/fn6+UuqNN964rZPE4x+QuzYej2f16tU+n++2zmDx/+zfv7+9vd3tdut6BzTUND3PzNQUFBRUXl7+2GOPeb3eqKioAD+KrLS01OFwlJWV8cFMGpG7Tuand5w4cWLnzp0BLhUbG+t2u/nYPb3IXbMDBw5o/BhhLZuEm8hdM5fLlZiYmJiYONkbgv/BjtwTExN7enqCg4NtmIVpJzg4eMOGDQsWLLBhlh2fqwpMEeyIhCDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwhC7hCE3CEIuUMQcocg5A5ByB2CkDsEIXcIQu4QhNwhCLlDEHKHIOQOQcgdgpA7BCF3CELuEITcIQi5QxByhyDkDkHIHYKQOwQhdwjyH7lzwFmpIywnAAAAAElFTkSuQmCC)
Find more compounds similar to 1,4-Diethynylbenzene.
Sources
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