- InChI
- InChI=1S/C9H12/c1-3-8(2)9-6-4-5-7-9/h4-7H,3H2,1-2H3
- InChI Key
- HRYYXFYLNRICQD-UHFFFAOYSA-N
- Formula
- C9H12
- SMILES
- CCC(C)=C1C=CC=C1
- Molecular Weight1
- 120.19
- Other Names
-
- 1,3-Cyclopentadiene, 5-sec-butylidene-
- Cyclopentadiene, 5-sec-butylidene-
- Fulvene, 6-ethyl-6-methyl-
- 6-Ethyl-6-methylfulvene
- 6-Methyl-6-ethylfulvene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 120.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.839 | Crippen Calculated Property | |
| McVol | 113.910 | ml/mol | McGowan Calculated Property |
| Tfus | 256.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.16; 286.54] | J/mol×K | [430.11; 637.22] | 
|
| Cp,gas | 215.16 | J/mol×K | 430.11 | Joback Calculated Property |
| Cp,gas | 229.00 | J/mol×K | 464.63 | Joback Calculated Property |
| Cp,gas | 242.01 | J/mol×K | 499.15 | Joback Calculated Property |
| Cp,gas | 254.22 | J/mol×K | 533.67 | Joback Calculated Property |
| Cp,gas | 265.68 | J/mol×K | 568.18 | Joback Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 602.70 | Joback Calculated Property |
| Cp,gas | 286.54 | J/mol×K | 637.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclopentadiene, 5-(1-methylpropylidene)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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