- InChI
- InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12?,15-/m0/s1
- InChI Key
- ZTVSGQPHMUYCRS-CVRLYYSRSA-N
- Formula
- C15H18O2
- SMILES
-
C=C1CCCC2(C)C=C3OC(=O)C(C)=C3C
C12 - Molecular Weight1
- 230.30
- Other Names
-
- Eudesma-4(15),7(11),9-trien-12-olide
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4065 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.510 | Crippen Calculated Property | |
| McVol | 184.170 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | 1968.00 | NIST | |
| Tboil | 588.06 | K | Relay (1.0) Calculated Property |
| Tc | 833.58 | K | Relay (1.0) Calculated Property |
| Tfus | 349.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.04; 631.77] | J/mol×K | [692.00; 939.30] | 
|
| Cp,gas | 530.04 | J/mol×K | 692.00 | Joback Calculated Property |
| Cp,gas | 548.73 | J/mol×K | 733.22 | Joback Calculated Property |
| Cp,gas | 566.46 | J/mol×K | 774.43 | Joback Calculated Property |
| Cp,gas | 583.44 | J/mol×K | 815.65 | Joback Calculated Property |
| Cp,gas | 599.86 | J/mol×K | 856.87 | Joback Calculated Property |
| Cp,gas | 615.91 | J/mol×K | 898.09 | Joback Calculated Property |
| Cp,gas | 631.77 | J/mol×K | 939.30 | Joback Calculated Property |
Similar Compounds
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ZXUFAAAGFhYbQLMSHud1y4cCHtQh6Lx3EHgNWrVwNAWloa7UIGx0Vhzpw5tAsxlfb29vLychsbm9DQUNq1PBa/4/7b3/7WycmpoKCgoqKCdi0DaW5uvnTpkp2dXXBwMO1aTOXUqVMKhSIoKEh7eaGl4XfcnZycli1bBgCfffYZ7VoGUlhYqFarZ86cqT1qYWV48fXF77jDwwPWvXv3dnV10a7lsbgocMucrRUvDk54H/egoKDAwMCmpqbDhw/TruWxrD7u7e3tZ86csbGxmTlzJu1aBsL7uANAXFwcWPABa1NT0+XLl6VSqRV33IuLixUKRXBwsCV33ME64h4TEzNs2LCioqIrV67QrqUfBQUFXMfd1taWdi2mUlhYCHz4+rKGuDs6OnLX5NizZw/tWvrBi06tgfLz84EPcR/KbYQt2IULF6ZOneri4nLnzh3tK9hYAj8/v8uXL5eUlFjygLQh2tra3NzcBAJBS0uL9mWHLZA1tO4AEBAQEBQUJJfLLe2A9e7du1euXJFKpdyllKxScXGxUqkMDg628KyD1cQdHo5IWtoBa2FhISEkNDTU0maPGBGPxp1saBdgNMuXL//DH/5QUlJy+fJl7moFptDT09Pc3NzykObnFStWeHt79309j6KgNx79jtYTdwcHhxdffPGjjz765JNPdu3aNaT3dnZ2tuimrq6u36Od0NBQNuPe2tp69uxZiUQyY8YM2rUMzkoOVTkXL14MCAgY4IC1tLR07969vRpmuVyu+y4kEomrq6ubm5vrQ9zPMTExEyZM6PXihoYGDw8Pe3v7lpYWa+3MHD9+PDIyctasWcXFxbRrGZz1tO4A4O/vHxwcXFZWlp2d/fLLL/d9wbVr19LT0/s+bmdn56qb0aNHay9IGxh3Ye7Zs2dba9aBJ1NlNKwq7gCwZs2asrKy9PT0fuMeEhLy8ccfa9pm7gftyz8YF3fyxbpH3Pl1VsGqOjMA0NnZ6eXl1dLScu7cOW5tKEW+vr6VlZWlpaXcXV+sz71799zd3UUiEXdxZtrlDM56BiI59vb2MTExAPDpp5/SraShoeHq1auOjo69bqJkTYqKilQqVUhICC+yDtYXd3g4AL9///6Ojg6KZXBXHJg1a5ZYLKZYhknxZaqMhrX13QHAz89vxowZpaWlWVlZ3NWZzeDevXuaoR7uB27FCV86tfrhy1QZDWvru3P27t27YsWKX/ziF6dPn9Z7I7oPxjc2NioUir5bGDlyZGBgYG5uro2NFTYrXMedu/oAXy6vYJ1x1xywnj17lruRPEehUPRqgwf4YUjX83B2dtYej3dzc+vp6cnOzu7o6Fi2bNn+/futr0uTm5v7q1/9KiwsjBuc4QUrbHUAwN7e/sUXX9y9e3dUVJS3t7cmwe3t7bpvRCqV9krwAD9o30FF4/XXX4+IiMjMzOzo6MjOzrayhap8PGFsnXEHAC6FVVVVVVVV2o8PcEbJ09Nz9OjRmgQbns6goKC8vLyIiIhjx479+te/PnToEF++9HXBx7hbZ2emrq7Ox8dHLpcnJCQsXLhQ0xI7Ojqav5iKigqZTFZbWxsWFnbs2DEqNRidXC4fPnw4vzruAMDja0QOICoqCgAWLlxIu5AHKisrPT09AWD27Nmtra20yzEC7spt4eHhtAsZGiscd//Xv/715ZdfSqXS1NRU2rU8MGnSpPz8/DFjxhQXF8+dO7e5uZl2RYbi3Yj7A7Q/b0bW0dExbtw4AOh7aX3qbty48fOf/xwApk+f3uuG4LwTEBAAD+fA8Yi1xZ2711dAQIBCoaBdSz9u3rz51FNPAYCvr29tbS3tcvSkuXi3Ifd8pMKq4n7hwgWxWCwSicrLy2nX8li1tbXcYqtJkybduXOHdjn64BYEz507l3YhQ2Y9fXe1Wr1mzRqFQrFhwwZLnpXl4eHxv//9z9/f/+rVq3PmzLl9+zbtioaMX5N+H0H782Y0KSkpAODt7d3W1ka7lsE1NzdzFxV74oknfvjhB9rlDI2/vz8AFBUV0S5kyKwk7nfu3OHu7XbkyBHateiqpaWFmwc/duxYHt0Smeu429vb8+sunxwrifuSJUsAICoqinYhQ9Pe3s4te/Pw8Lh06RLtcnRy6NAh4Ns9DzWsoe+ek5Pz1VdfDRs2jOvP8IiDg8OxY8dkMlldXd28efMuXrxIu6LB8XHuwE9of94M1draOmbMGABITU2lXYueurq6Fi1aBACurq7ffPMN7XIG4efnBwDFxcW0C9EH7+P+u9/9DgCefvpppVJJuxb9dXd3c/0xFxeX0tJS2uU8VmNjo1AolEqlfOy4E77HvaysTCQS2djYnD17lnYthurp6eGm+jg4OJw8eZJ2Of24e/fuhg0bAEAmk9GuRU88jrtCoeCWbiQmJtKuxTiUSuVLL70EAFKpNC8vj3Y5hBCiUqnKy8uTk5NlMhm3Juu55547fPgw7br0xOO4v/vuuwDwxBNPtLe3067FaJRKJXc3cFtb29zcXFpl1NfX79+/PyYmZvjw4ZrDPDs7u/nz52dmZtKqynB8jXtNTQ03cfzo0aO0azEytVrNHZBIJJKcnByz7VfTkIeGhmovzho/fnxcXFxWVpYVTF3ma9y5oYzly5fTLsQk1Gr1xo0bAUAsFmdnZ5t0Xw0NDVlZWXFxcR4eHpqI29vby2Sy5ORkS559pAdexj0zMxMAnJ2deTrFSkdbt24FAJFItG/fPuNuWalUWn1D3i/+xf3evXteXl4AkJ6eTrsWk0tOTuYS/+mnnxq+Na4hj42NdXV17duQX7lyxfBdWDj+xX3t2rUAEBISolKpaNdiDu+88w4ACASCDz74QI+3azfk2tcu1jTkvJhRZyw8i/vp06eFQqFEImGhKdJITU0VCAQCgUD3JVr19fUDNOQVFRWmrNdy8SnuCoWCWzO2ZcsW2rWYW1paGtfJ3rZt2+NewzXkSUlJgYGBfRvy3Nxc3i0+Mjo+xX379u0A8NRTT7H5Zztw4IBIJOp7Wq2urm7fvn3R0dHaF6qXSqUymSwlJaW6uppSvZaIN3Gvrq7m7mNoIacbqfjnP//JndpMSEgYuCHn6ZwWU+NN3J955hkAeOmll2gXQllmZqZYLNa+37yTk9Pzzz+flpZWU1NDuzpLx4+riB04cCA2Ntbd3b2iomLkyJG0y6HsyJEjDQ0NH3744bPPPrtgwQLrvoS8cfEg7s3NzT4+Pg0NDRkZGa+88grtchCP8WA1U0JCQkNDQ1hYWL93F0NId5beuhcVFYWHh0skknPnzvn4+NAuB/GbRbfuPT09a9euJYRs3rwZs44MZ9Fx37FjR2Vl5YQJE/74xz/SrgVZA8vtzHz//fcBAQHd3d0nTpyYO3cu7XKQNbDQ1p0Qsm7duq6urldffRWzjozFQlv3w4cPL126dOTIkZWVlW5ubrTLQVbCQuOuUqlSU1NHjx4dHR1NuxZkPSw07giZgoX23REyBYw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcMwbgjhmDcEUMw7oghGHfEEIw7YgjGHTEE444YgnFHDMG4I4Zg3BFDMO6IIRh3xBCMO2IIxh0xBOOOGIJxRwzBuCOGYNwRQzDuiCEYd8QQjDtiCMYdMQTjjhiCcUcM+T8EtVVyKLDh7gAAAABJRU5ErkJggg==)
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