- InChI
- InChI=1S/C16H26O2/c1-6-16(5,18-13-17)12-8-11-15(4)10-7-9-14(2)3/h6,9,11,13H,1,7-8,10,12H2,2-5H3/b15-11+
- InChI Key
- GJPVEZJRYIBIOD-RVDMUPIBSA-N
- Formula
- C16H26O2
- SMILES
- C=CC(C)(CCC=C(C)CCC=C(C)C)OC=O
- Molecular Weight1
- 250.38
- 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 | 0.5332 | Relay (1.0) Calculated Property | |
| ΔfG° | 113.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.577 | Crippen Calculated Property | |
| McVol | 230.840 | ml/mol | McGowan Calculated Property |
| Pc | 1572.21 | kPa | Joback Calculated Property |
| Inp | [1752.00; 1752.00] |
|
|
| Inp | 1752.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Tboil | 554.91 | K | Relay (1.0) Calculated Property |
| Tc | 717.98 | K | Relay (1.0) Calculated Property |
| Tfus | 241.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.793 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.21; 703.99] | J/mol×K | [638.09; 828.39] |
|
| Cp,gas | 613.21 | J/mol×K | 638.09 | Joback Calculated Property |
| Cp,gas | 630.52 | J/mol×K | 669.81 | Joback Calculated Property |
| Cp,gas | 646.88 | J/mol×K | 701.52 | Joback Calculated Property |
| Cp,gas | 662.35 | J/mol×K | 733.24 | Joback Calculated Property |
| Cp,gas | 676.98 | J/mol×K | 764.95 | Joback Calculated Property |
| Cp,gas | 690.85 | J/mol×K | 796.67 | Joback Calculated Property |
| Cp,gas | 703.99 | J/mol×K | 828.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 3,7,11-trimethyl-1,6,10-dodecatrien-3-yl ester.
Sources
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