- InChI
- InChI=1S/C11H16O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h5-8H,1-4H3/b7-5+,10-8+
- InChI Key
- MUIMRDAQSNCVEQ-RMTFUQJTSA-N
- Formula
- C11H16O2
- SMILES
- COC(=O)C=C(C)C=CC=C(C)C
- Molecular Weight1
- 180.24
- CAS
- 53771-48-5
- 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 | 0.4338 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.628 | Crippen Calculated Property | |
| McVol | 160.390 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [1445.00; 1475.30] |
|
|
| Inp | 1445.00 | NIST | |
| Inp | 1475.30 | NIST | |
| Inp | 1445.00 | NIST | |
| Inp | 1475.30 | NIST | |
| Tboil | 491.18 | K | Relay (1.0) Calculated Property |
| Tc | 676.58 | K | Relay (1.0) Calculated Property |
| Tfus | 329.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.557 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.46; 434.72] | J/mol×K | [539.61; 740.19] |
|
| Cp,gas | 360.46 | J/mol×K | 539.61 | Joback Calculated Property |
| Cp,gas | 374.67 | J/mol×K | 573.04 | Joback Calculated Property |
| Cp,gas | 388.08 | J/mol×K | 606.47 | Joback Calculated Property |
| Cp,gas | 400.75 | J/mol×K | 639.90 | Joback Calculated Property |
| Cp,gas | 412.71 | J/mol×K | 673.33 | Joback Calculated Property |
| Cp,gas | 424.02 | J/mol×K | 706.76 | Joback Calculated Property |
| Cp,gas | 434.72 | J/mol×K | 740.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl dehydrogeraniate.
Sources
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