- InChI
- InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-4H2,1-2H3/b10-9-
- InChI Key
- LWONXTYZMYZRSU-KTKRTIGZSA-N
- Formula
- C11H12O2
- SMILES
- CCCC#CC#CC=CC(=O)OC
- Molecular Weight1
- 176.21
- CAS
- 505-01-1
- Other Names
-
- Lachnophyllum ester, cis
- (Z)-Lachnophyllum acid, methyl ester
- 2-Decene-4,6-diynoic acid, methyl ester, (Z)-
- cis-Lachnophyllum ester
- (Z)-2-Lachnophyllum ester
- 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.
- I : 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 | 0.3200 | Relay (1.0) Calculated Property | |
| ΔfG° | 293.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 99.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.522 | Crippen Calculated Property | |
| McVol | 151.790 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1471.00; 1539.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1493.00 | NIST | |
| I | 2250.00 | NIST | |
| Tboil | 475.30 | K | Relay (1.0) Calculated Property |
| Tc | 660.58 | K | Relay (1.0) Calculated Property |
| Tfus | 296.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.44; 393.73] | J/mol×K | [549.53; 774.76] |
|
| Cp,gas | 325.44 | J/mol×K | 549.53 | Joback Calculated Property |
| Cp,gas | 338.42 | J/mol×K | 587.07 | Joback Calculated Property |
| Cp,gas | 350.74 | J/mol×K | 624.61 | Joback Calculated Property |
| Cp,gas | 362.41 | J/mol×K | 662.15 | Joback Calculated Property |
| Cp,gas | 373.45 | J/mol×K | 699.69 | Joback Calculated Property |
| Cp,gas | 383.89 | J/mol×K | 737.22 | Joback Calculated Property |
| Cp,gas | 393.73 | J/mol×K | 774.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl (Z)-dec-2-en-4,6-diynoate.
Sources
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