- InChI
- InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3
- InChI Key
- LWKWNIYBQLKBMQ-UHFFFAOYSA-N
- Formula
- C14H24O2
- SMILES
- CCCC(=O)OC(C)(C)C1CC=C(C)CC1
- Molecular Weight1
- 224.34
- CAS
- 2153-28-8
- Other Names
-
- Butanoic acid, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester
- 4-Terpinenyl ester of n-butanoic acid
- Butyric acid, p-menth-1-en-8-yl ester
- «alpha»-Terpinyl butyrate
- «alpha»-Terpinyl ester of n-butanoic acid
- Terpinyl n-butyrate
- Terpinyl butyrate
- 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl butyrate
- 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° | -119.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.855 | Crippen Calculated Property | |
| McVol | 200.400 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | [1514.00; 1514.00] |
|
|
| Inp | 1514.00 | NIST | |
| Inp | 1514.00 | NIST | |
| I | 1828.00 | NIST | |
| Tboil | 616.47 | K | Joback Calculated Property |
| Tc | 824.04 | K | Joback Calculated Property |
| Tfus | 342.78 | K | Joback Calculated Property |
| Vc | 0.751 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.55; 642.97] | J/mol×K | [616.47; 824.04] |
|
| Cp,gas | 541.55 | J/mol×K | 616.47 | Joback Calculated Property |
| Cp,gas | 561.22 | J/mol×K | 651.06 | Joback Calculated Property |
| Cp,gas | 579.73 | J/mol×K | 685.66 | Joback Calculated Property |
| Cp,gas | 597.13 | J/mol×K | 720.25 | Joback Calculated Property |
| Cp,gas | 613.44 | J/mol×K | 754.85 | Joback Calculated Property |
| Cp,gas | 628.71 | J/mol×K | 789.44 | Joback Calculated Property |
| Cp,gas | 642.97 | J/mol×K | 824.04 | Joback Calculated Property |
| η | [0.0001460; 0.0025704] | Pa×s | [342.78; 616.47] |
|
| η | 0.0025704 | Pa×s | 342.78 | Joback Calculated Property |
| η | 0.0012035 | Pa×s | 388.39 | Joback Calculated Property |
| η | 0.0006610 | Pa×s | 434.01 | Joback Calculated Property |
| η | 0.0004068 | Pa×s | 479.62 | Joback Calculated Property |
| η | 0.0002724 | Pa×s | 525.24 | Joback Calculated Property |
| η | 0.0001945 | Pa×s | 570.86 | Joback Calculated Property |
| η | 0.0001460 | Pa×s | 616.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-«beta»-Terpinyl butanoate.
Sources
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