- InChI
- InChI=1S/C16H32O2/c1-4-15(2)13-11-9-7-5-6-8-10-12-14-16(17)18-3/h15H,4-14H2,1-3H3
- InChI Key
- BJIUDNXPLSJWKE-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCC(C)CCCCCCCCCCC(=O)OC
- Molecular Weight1
- 256.42
- CAS
- 5129-66-8
- Other Names
-
- Methyl 12-methyltetradecanoate
- Methyl tetradecanoate, 12-methyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7796 | Relay (1.0) Calculated Property | |
| ΔfG° | -228.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.107 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1331.01 | kPa | Joback Calculated Property |
| Inp | [1771.00; 1786.00] |
|
|
| Inp | 1786.00 | NIST | |
| Inp | 1786.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Inp | 1786.00 | NIST | |
| Tboil | 555.83 | K | Relay (1.0) Calculated Property |
| Tc | 741.64 | K | Relay (1.0) Calculated Property |
| Tfus | 267.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.920 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.57; 766.20] | J/mol×K | [623.46; 790.54] |
|
| Cp,gas | 667.57 | J/mol×K | 623.46 | Joback Calculated Property |
| Cp,gas | 685.96 | J/mol×K | 651.31 | Joback Calculated Property |
| Cp,gas | 703.55 | J/mol×K | 679.15 | Joback Calculated Property |
| Cp,gas | 720.35 | J/mol×K | 707.00 | Joback Calculated Property |
| Cp,gas | 736.39 | J/mol×K | 734.85 | Joback Calculated Property |
| Cp,gas | 751.66 | J/mol×K | 762.69 | Joback Calculated Property |
| Cp,gas | 766.20 | J/mol×K | 790.54 | Joback Calculated Property |
| η | [0.0001031; 0.0053365] | Pa×s | [297.41; 623.46] |
|
| η | 0.0053365 | Pa×s | 297.41 | Joback Calculated Property |
| η | 0.0016630 | Pa×s | 351.75 | Joback Calculated Property |
| η | 0.0007081 | Pa×s | 406.09 | Joback Calculated Property |
| η | 0.0003688 | Pa×s | 460.44 | Joback Calculated Property |
| η | 0.0002204 | Pa×s | 514.78 | Joback Calculated Property |
| η | 0.0001454 | Pa×s | 569.12 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 623.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetradecanoic acid, 12-methyl-, methyl ester.
Sources
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