- InChI
- InChI=1S/C6H4S/c1-3-5-6(4-2)7-5/h1-2,5-6H/t5-,6-/m0/s1
- InChI Key
- ZEODDVBXGCQFTC-WDSKDSINSA-N
- Formula
- C6H4S
- SMILES
- C#CC1SC1C#C
- Molecular Weight1
- 108.16
- CAS
- 50555-55-0
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.1662 | Relay (1.0) Calculated Property | |
| ΔfG° | 538.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 560.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | NIST |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.737 | Crippen Calculated Property | |
| McVol | 83.690 | ml/mol | McGowan Calculated Property |
| Pc | 5051.40 | kPa | Joback Calculated Property |
| Tboil | 417.91 | K | Relay (1.0) Calculated Property |
| Tc | 625.12 | K | Relay (1.0) Calculated Property |
| Tfus | 350.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.273 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.44; 182.73] | J/mol×K | [366.82; 594.35] | 
|
| Cp,gas | 139.44 | J/mol×K | 366.82 | Joback Calculated Property |
| Cp,gas | 148.35 | J/mol×K | 404.74 | Joback Calculated Property |
| Cp,gas | 156.51 | J/mol×K | 442.66 | Joback Calculated Property |
| Cp,gas | 163.97 | J/mol×K | 480.59 | Joback Calculated Property |
| Cp,gas | 170.79 | J/mol×K | 518.51 | Joback Calculated Property |
| Cp,gas | 177.02 | J/mol×K | 556.43 | Joback Calculated Property |
| Cp,gas | 182.73 | J/mol×K | 594.35 | Joback Calculated Property |
Similar Compounds
![1-Propyne, 3-[(1-methylethyl)thio]-.](data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAPoAAAD6CAIAAAAHjs1qAAARJUlEQVR4nO3de1RUdb/H8d/MAAMMOFxEIXWpEKnAUy4vSxMvaePlwCBJ4upxpWZ1cNkpW+vpwvmnbJ3zR9jxrKxcPpL5lK0085iaXBSmNBU1bYNmoBGCitzlMgzgDHPb5499njmsNC+wZ/8Gvp/Xn1uY/VXf4m/v+bFRiaLIAGhQ8x4AQDnIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IAS5AyHIHQhB7kAIcgdCkDsQgtyBEOQOhCB3IETR3F0u15UrV5Q8I0BffoqdyW63x8TEdHV1dXR06HQ6xc4L4KHcV/eAgIC4uDiHw3H27FnFTgrQl6KLmTlz5jDGTp06peRJATyQOxCiEkVRsZO1t7dHRUVptVqz2RwQEKDYeQEkin51j4iImDRpktVqFQRByfMCSJS+7471DHCE3IEQRdfujLH6+vrRo0fr9fq2tjaNRqPkqQGU/uo+atSo8ePHd3Z2lpeXK3xqAA57ZqT1zMmTJ5U/NRDHLXcs30F5yB0I4ZD7hAkTYmJimpqaqqqqlD87UMZnv3tycjLD8h0Uxyd3rGeAC+QOhCj9NpPE7XZHRkaazeba2toxY8YoPwDQxOeru1qtnjVrFmPs9OnTXAYAmrh9azbWM6A8zrnj5gwoic/anTFmt9vDw8OtVuutW7ciIyO5zADUcPvqHhAQMH36dFEUsXwHxfB8rNLcuXMZlu+gIJ65Y/kOCuO2dmeMdXd3R0REiKLY3t4eGhrKawygg+dX95CQkMmTJzudznPnznEcA+jg/EhULN9BSZxzx/L9rhoaGo4fP15cXNzb28t7liGF59qd4UFLd1NQULBixYoxY8ZUVlYGBwfPmjXLaDQuX7581KhRvEcb9DjnzhhLSkqqqKg4ffq0tIuGuL17965evdrhcMycObO3t/fixYvSX5BKpZo2bVpqaqrRaJwyZYpKpeI96eAk8rZ+/XrGWE5ODu9B+Pvyyy/9/PwYY9nZ2dKR5ubmXbt2ZWZm9r1zFRUVtWrVqn379nV2dvIdeNDhn/uePXsYY6mpqbwH4Wzr1q1qtZox9t577935q1ar1WQybdiwYezYsZ7u/fz8kpOTc3Jyrly5ovzAgxH/3Ovq6hhjer3e6XTynoWbnJwcxphKpfrwww/v+8HV1dVbtmwxGAz+/v6e9GNjYzds2GAymex2u/fnHaz45y6K4vjx4xljFy5c4D0IH++++y5jTKPR7Ny586E+sbW1dd++fatWrQoPD/d0HxERkZmZmZub29TU5KWBBy+fyH316tWMsY8//pj3IEpzu92vv/46YywgIGDfvn39fh2n0ykIwsaNG6dOnerpXqPRTJ06dePGjYIgyDjzPZw7d+7gwYPd3d3KnK4ffCL3HTt2MMYyMzN5D6Iop9O5du1axphWqz148KBcL1tTU5Obm2s0GrVarSf9cePGZWVlHT582GazyXWiO61cudLHryh8IvfKykrG2MiRI3kPopze3t7ly5czxnQ6nclk8sYpenp6Dh8+nJWV9cgjj3i6Dw4ONhgMW7Zsqaurk/2MW7duTU5O7vuk28TExLfffvvkyZM+cmHmE7mLohgTE8MYq6ys5D2IEnp6epYsWcIYCwsLO3PmjAJnLC8vz8nJSU5O7nvDPiEhITs7+9SpUy6XS8ZztbW1+ewVha/kLn2p++yzz3gP4nVdXV1PP/00Y2zEiBHKX50reSP/vlcUbrdbxtM9CF/J/aOPPmKMrVmzhvcg3tXe3j5z5kzGWExMTHl5OcdJpBv52dnZEyZMUOBGPscrir58JfcLFy5IN495D+JFTU1Njz/+uPTXfPXqVd7j/D8lb+R7rij6bgHyXFHcvHlTxnPdyVdyd7lcYWFhjLHa2lres3jFjRs34uPjGWMTJ070xmWiLBRedit5RSHxldxFUUxJSWGM7dmzh/cg8rPZfs/ImMkYmzJlyq1bt3iPc38Oh+P48eNvvvnmxIkT+y67MzIyNm3aJPsyzHNFMWzYMK9eUfhQ7u+//z5jbP369bwHkdnt27/+8kt0WdmYF14wms1m3uM8NM+yW3rz+w/LbqvVKuO5vH1F4UO5l5SUMMaSkpJ4DyKnnh7h4sXhgsAqK59yOi28xxkQi8Wyf//+tWvXjhw50tOiTqdbtmzZjh07Ghoa5D2dN64o+O939xh6D1rq7j519arR5bLo9cbY2P9RqwN5TySbioqK/Pz8vLw86X0D6WBCQkJaWprRaJw1a5a0u1MW7e3tP/zwQ15eXn5+fkdHh3QwPDzcYDAYDIalS5dGR0c/6GvJ+y9ygJ566inG2KFDh3gPIgOL5VhZWYggsJqa59zuIbtLsaWlRZllt/jnVxRz5szZtGlTRUXFfV/Bt3J/5513GGNvvPEG70EGymw+XFYWKAjs+vV/FUX57zD4IO438ufOnXvfz/Kt3IuKihhj48aNO3PmjDfuQymjrW13aamfILAbN/5NFJV+49AXKHkjX7qiePHFF7dv337fD/ah3J1O55o1awIDA6VlX2RkZGZm5q5duzo6OniP9hBaWrYLgloQWF1dNu9Z+Lvrjfzw8HDpRn5jY6PC8/hK7na7fcWKFYyx4ODgZ5999tFHH/X86fj7+y9YsGDz5s2+v4GssXGTIKgEQdXU9F+8Z/EtPrJ/xidyt9lszzzzDGNMr9eXlJRIB6urq6XFWd8HcsTGxiq8y+LBNTbmCAITBFVz80e8Z/Fp994/I++N/D/gn3t3d/fChQsZYxEREefOnbvrB0i7LKRNwpLg4GCj0Zibm1tfX6/8zHdw37z5N0FgpaWa1tbPeQ8zaNx1/0xQUJD39s9wzr2jo0N6vEx0dPSlS5fu/cEul8vzH6Jnl4VarZ46daq0y0L5DaWiKLrdzuvXXxYEVloa0N6+X/kBhgZl9s/wzL25uXny5MmMsbFjx1ZVVT3U5964cWPbtm0pKSlBQUGeP53Ro0evW7fuyJF8l6vHSzP/gdvtvHZttSCwsrLgzs6jypzUR5w/f94b+2fufSN/gLswuOXe0NCQlJTEGJswYcJA/tu6ffu29AAWzw+sTEmZUVYW+PvvhubmLb29N2Sc+Q/c7t6rV5cJAisrC7FYfvDeiXzTa6+99odlt7wXVN64kc9nE8H169cNBkN1dXViYqLJZOq7KB+IixcvFhQUjB79W1LSHsbc0sGgoMf1+lS93qjTzVCpNPd+hbtyu7t7e6tFUfT3j/b3j/7nwdvV1csslmKNJjw+/ohON0OW38IgUlxcvHfv3sLCwubmZumITqdbtGhRSkpKamqqXH+nkl9//bWgoKCgoODs2bMul0s6mJCQYDQajUaj9GDdB8Eh999++23hwoV1dXXTpk07evSoN7bHOJ1tXV3HOjvzzOY8l8ssHfTziwwNXaDXG8PClmo0YQ/yOnb79draDRZLoSj+3x9xQMDY4cNfiol5x2z+rrp6mb9/dHx8cVBQkuy/hUGE7/6Z6dOnnz9//gE/XencL1y4sHjx4lu3bs2bNy8vL8/bP7RDFF09PWc7O/PN5jyb7bJ0UKXS6HQz9fq0YcMMwcFT/+xznc7Wy5cnOxz1Wm18WFi6RhPmcNy0WEwhIbPHjdvFGGtt/Udo6Fyt9tE/ewVqWlpajh49mp+fX1RUZLFYpINRUVFLlixJS0tbvHhx3+X4ADmdzpKSksLCwri4uHXr1j3gZyma+88//7xkyZL29vaUlJT9+/f3vcpUQG9vTVfX92ZznsVSLIp26aBWOz40dGFYmHHYsEUqlbbvxzc2/mdDw7uhoQvi44tUKj/PcZerS6PBj9a5F5vNVlJS8v333x86dEh6qgpjzM/Pb8aMGWlpaenp6X33eClJudx//PHHpUuXdnV1rVix4quvvuq7m0JhbndPV9cxszm/szPP4WiUDqrVwaGhC8LC0vR6o7//I4yx6upnzObvxo7NHT48i9eoQ0BNTY209jhx4oTD4ZAOxsbGGo3GtLS0efPmKVmCQrkXFBQsX77cZrM9//zzn3/+ufRYZ+5E0dXTc66zM7+zs9Bq/eWfh9Xjxu2MjHzh2rW/trfvHTnyb6NH/zfPKYcKObet95ts943+3Ndffy39C16/fr3P7nO025taW3dVV2eWlYVYrZdFUWxp+bsgMEFQ19W97XA08x5w6OC4f8brud/5iH4f53mLyu22V1WlCQITBFZa6ldVldbR8Z3b7eA73hCj8P4Z7+a+detW6T3huz6ifzBwm8151dWZ0vdqCAIrL3/MavW5J30OAcrsn/Fi7g/1iH4f53SaW1v/UV7+mCCw8vKJbrdPPOBzqPLe/hmv5O52u9966y3Wr0f0+zKHo1V6rEBX1wnes5BQX1//6aefpqen63Q6T/fR0dEvvfTSgQMH+vGC8ufudrs3bNjABvyIft9UVfUvgsDa2nbzHoSWO/fPJCYm9uN1ZL4R6XK5Xn755S+++EKr1X7zzTfp6ekyvjh3ouiqqIjv7b0WH180bNgi3uMQVV5enp+fHxERkZX10O+HyJm73W5fuXLlt99+q9PpDh06ZDAY5HplLhob/4MxdXj4isDAxxhjTmdrff2/t7bu9PcfmZRUo1YH8x4QHppsud++fTsjI6OoqCgsLKywsPDJJ5+U5WX5ESsqJtpsvzPG1OpAtXqY09nCGNNo9HFxB0JDF/AeD/pDnty7u7vT09OPHTs2YsSI4uLiJ554YuCvyZ0o2i2Wos7OIzZbpdtt1WrHBgX9JTJyrb+/nFtbQUky5N7R0ZGSkvLTTz/FxMSYTKbExERZJgOQ3UD3rjQ3Ny9atOjSpUvjx483mUxxcXGyjAXgDQPKvba21mAwVFVVTZo0yWQy9X0/DMAH9f/bTK5duzZ//vyqqqopU6acOHECrYPv62fuly9fnj17dk1NzezZs48dOxYVFSXvWADe0J/cS0tL582b19DQMH/+/CNHjuj1etnHAvCGh8791KlTCxYsaG1tNRqNhYWFISEh3hgLwBseLvejR48uXrzYYrE899xzBw4cCAwcOj+OAih4iNzz8vKWLVtmtVqzsrJ2797N8ZtNAfrnQXPfs2dPRkaGzWZ79dVXt2/fLuOTQwAU80DVbt++fdWqVU6nMzs7+5NPPum76R5gELl/7h988MErr7wiiuLmzZulb1ACGKTus2emvr4+ISGhu7t727ZtD/6sJgDfdP8tYidPnqyrq1u5cqUyAwF4jw/9GGEAb8MNFiAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoQgdyAEuQMhyB0IQe5ACHIHQpA7EILcgRDkDoT8LxEgL5ReMaJYAAAAAElFTkSuQmCC)
Find more compounds similar to Thiirane,trans-2,3-diethynyl-.
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