![Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-](/cid/93-437-4/Pentanoic-acid-1-7-7-trimethylbicyclo-2-2-1-hept-2-yl-ester-endo.png "Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-")
- InChI
- InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3
- InChI Key
- ILUAVCBOWYHFAI-UHFFFAOYSA-N
- Formula
- C15H26O2
- SMILES
- CCCCC(=O)OC1CC2CCC1(C)C2(C)C
- Molecular Weight1
- 238.37
- CAS
- 7549-41-9
- Other Names
-
- Bornyl ester of n-pentanoic acid
- Valeric acid, 2-bornyl ester, endo-
- Bornyl valerate
- «alpha»-Terpinyl ester of n-pentanoic acid
- Bornyl pentanoate
- endo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl valerate
- 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).
- 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 | 0.5403 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.935 | Crippen Calculated Property | |
| McVol | 207.930 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Tboil | 534.02 | K | Relay (1.0) Calculated Property |
| Tc | 779.51 | K | Relay (1.0) Calculated Property |
| Tfus | 341.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.747 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.16; 702.24] | J/mol×K | [627.78; 833.26] | 
|
| Cp,gas | 593.16 | J/mol×K | 627.78 | Joback Calculated Property |
| Cp,gas | 613.03 | J/mol×K | 662.03 | Joback Calculated Property |
| Cp,gas | 631.96 | J/mol×K | 696.27 | Joback Calculated Property |
| Cp,gas | 650.15 | J/mol×K | 730.52 | Joback Calculated Property |
| Cp,gas | 667.80 | J/mol×K | 764.77 | Joback Calculated Property |
| Cp,gas | 685.10 | J/mol×K | 799.01 | Joback Calculated Property |
| Cp,gas | 702.24 | J/mol×K | 833.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-.
Sources
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