- InChI
- InChI=1S/C15H26O2/c1-11(2)10-14(16)17-15(4,5)13-8-6-12(3)7-9-13/h6,11,13H,7-10H2,1-5H3
- InChI Key
- XRADSECIALQFFY-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
-
CC1=CCC(C(C)(C)OC(=O)CC(C)C)CC
1 - Molecular Weight1
- 238.37
- CAS
- 1142-85-4
- Other Names
-
- Terpinyl iso-valerate
- «alpha»-Terpinyl isopentanoate
- n-Terpinenyl ester of isopentanoic acid
- Isovaleric acid, p-menth-1-en-8-yl ester
- «alpha»-Terpenyl isovalerate
- Butanoic acid, 3-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
- 2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl 3-methylbutanoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -113.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 4.101 | Crippen Calculated Property | |
| McVol | 214.490 | ml/mol | McGowan Calculated Property |
| Pc | 1796.98 | kPa | Joback Calculated Property |
| Inp | [1498.00; 1501.00] |
|
|
| Inp | 1501.00 | NIST | |
| Inp | 1498.00 | NIST | |
| I | [1858.00; 1858.00] |
|
|
| I | 1858.00 | NIST | |
| I | 1858.00 | NIST | |
| Tboil | 638.91 | K | Joback Calculated Property |
| Tc | 847.30 | K | Joback Calculated Property |
| Tfus | 339.05 | K | Joback Calculated Property |
| Vc | 0.801 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [595.79; 700.51] | J/mol×K | [638.91; 847.30] |
|
| Cp,gas | 595.79 | J/mol×K | 638.91 | Joback Calculated Property |
| Cp,gas | 616.17 | J/mol×K | 673.64 | Joback Calculated Property |
| Cp,gas | 635.33 | J/mol×K | 708.37 | Joback Calculated Property |
| Cp,gas | 653.30 | J/mol×K | 743.10 | Joback Calculated Property |
| Cp,gas | 670.12 | J/mol×K | 777.84 | Joback Calculated Property |
| Cp,gas | 685.85 | J/mol×K | 812.57 | Joback Calculated Property |
| Cp,gas | 700.51 | J/mol×K | 847.30 | Joback Calculated Property |
| η | [0.0001205; 0.0031021] | Pa×s | [339.05; 638.91] |
|
| η | 0.0031021 | Pa×s | 339.05 | Joback Calculated Property |
| η | 0.0012749 | Pa×s | 389.03 | Joback Calculated Property |
| η | 0.0006416 | Pa×s | 439.00 | Joback Calculated Property |
| η | 0.0003715 | Pa×s | 488.98 | Joback Calculated Property |
| η | 0.0002381 | Pa×s | 538.96 | Joback Calculated Property |
| η | 0.0001645 | Pa×s | 588.93 | Joback Calculated Property |
| η | 0.0001205 | Pa×s | 638.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Terpinyl isovalerate.
Sources
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