![2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1R-[1«alpha»(E),4a«beta»,8a«alpha»]]-](/cid/80-263-1/2-Pentenoic-acid-5-decahydro-5-5-8a-trimethyl-2-methylene-1-naphthalenyl-3-methyl-methyl-ester-1R-1-alpha-E-4a-beta-8a-alpha.png "2-Pentenoic acid, 5-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methyl-, methyl ester, [1R-[1«alpha»(E),4a«beta»,8a«alpha»]]-")
- InChI
- InChI=1S/C21H34O2/c1-15(14-19(22)23-6)8-10-17-16(2)9-11-18-20(3,4)12-7-13-21(17,18)5/h14,17-18H,2,7-13H2,1,3-6H3/b15-14+
- InChI Key
- KYTKOCVFNCZSSC-CCEZHUSRSA-N
- Formula
- C21H34O2
- SMILES
-
C=C1CCC2C(C)(C)CCCC2(C)C1CCC(C
)=CC(=O)OC - Molecular Weight1
- 318.49
- CAS
- 17110-88-2
- Other Names
-
- 5«beta»,9«beta»H,10«alpha»-Labda-8(20),13-dien-15-oic acid, methyl ester, (E)-
- Methyl copalate
- Methyl ester of 5«beta»,9«beta»,10«alpha»-8(20),13-Labdadien-15-oic acid (isomer A)
- (E)-Methyl 3-methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pent-2-enoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 63.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.29 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 5.685 | Crippen Calculated Property | |
| McVol | 283.870 | ml/mol | McGowan Calculated Property |
| Pc | 1343.73 | kPa | Joback Calculated Property |
| Inp | [2312.00; 2326.60] |
|
|
| Inp | 2326.60 | NIST | |
| Inp | 2326.60 | NIST | |
| Inp | 2312.00 | NIST | |
| Tboil | 781.07 | K | Joback Calculated Property |
| Tc | 998.73 | K | Joback Calculated Property |
| Tfus | 454.35 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [900.66; 1041.22] | J/mol×K | [781.07; 998.73] |
|
| Cp,gas | 900.66 | J/mol×K | 781.07 | Joback Calculated Property |
| Cp,gas | 924.60 | J/mol×K | 817.35 | Joback Calculated Property |
| Cp,gas | 948.03 | J/mol×K | 853.62 | Joback Calculated Property |
| Cp,gas | 971.18 | J/mol×K | 889.90 | Joback Calculated Property |
| Cp,gas | 994.27 | J/mol×K | 926.18 | Joback Calculated Property |
| Cp,gas | 1017.54 | J/mol×K | 962.46 | Joback Calculated Property |
| Cp,gas | 1041.22 | J/mol×K | 998.73 | Joback Calculated Property |
Similar Compounds
Sources
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