![Carbamic acid, (1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester](/cid/18-938-1/Carbamic-acid-1-methylethyl-2-aminocarbonyl-oxy-methyl-2-methylpentyl-ester.png "Carbamic acid, (1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester")
- InChI
- InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
- InChI Key
- OFZCIYFFPZCNJE-UHFFFAOYSA-N
- Formula
- C12H24N2O4
- SMILES
- CCCC(C)(COC(N)=O)COC(=O)NC(C)C
- Molecular Weight1
- 260.33
- CAS
- 78-44-4
- Other Names
-
- (1-Methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester
- 1,3-Propanediol, 2-methyl-2-propyl-, carbamate isopropylcarbamate
- 2-((carbamoyloxy)methyl)-2-methylpentyl isopropylcarbamate
- 2-methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate
- Apesan
- Arusal
- Atonalyt
- Brianil
- CB 8019
- Calenfa
- Cap-O-Tran
- Caprodat
- Carbamic acid, ester with 2-(hydroxymethyl)-2-methylpentylisopropyl carbamate
- Carbamic acid, ester with 2-methyl-2-propyl-1,3-propanediol isopropylcarbamate
- Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate
- Carbamic acid, isopropyl-, 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)
- Carisol
- Carisoma
- Carisoprodate
- Carisoprodatum
- Carisoprodol
- Carlsodol
- Carlsoma
- Carlsoprol
- Carsodal
- Carsodol
- Coprobate
- Diolene
- Domarax
- Flexal
- Flexartal
- Flexartel
- Flibol E
- Isobamate
- Isomeprobamate
- Isopropyl meprobamate
- Isopropylcarbamic acid, ester with 2-(hydroxymethyl)-2-methylpentyl carbamate
- Isoprotan
- Isoprotane
- Isoprothane
- Izoprotan
- Mediquil
- Meprobamate
- Meprocon
- Mioartrina
- Miolisodal
- Miolisodol
- Mioratrina
- Mioril
- Mioriodol
- N-Isopropyl-2-methyl-2-propyl-1,3-propanediol, dicarbamate
- NCI-C56235
- Nospasm
- RELA
- Relasom
- Relax
- SCH 7307
- Sanoma
- Skutamil
- Soma
- Somadril
- Somalgit
- Somanil
- Stialgin
- Tonolyt isopropyl meprobamate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion 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).
- Inp : Non-polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 34.93 | kJ/mol | Joback Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.023 | Crippen Calculated Property | |
| McVol | 214.780 | ml/mol | McGowan Calculated Property |
| Inp | [1830.00; 1906.60] |
|
|
| Inp | 1850.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Inp | Outlier 1906.60 | NIST | |
| Inp | 1841.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tfus | 330.64 | K | Relay (1.0) Calculated Property |
| Ttriple | 367.75 | K | Thermal behavior and dynamic fragility in amorphous carisoprodol. Correlation between the dynamic and thermodynamic fragilities |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [327.50; 729.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.19240e+01 | |||
| Coefficient B | 1.30408e+00 | |||
| Coefficient C | -7.06800e-04 | |||
| Coefficient D | 1.10300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 327.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 399.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 464.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 521.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 571.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 615.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 652.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 683.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 709.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 729.50 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Thermal behavior and dynamic fragility in amorphous carisoprodol. Correlation between the dynamic and thermodynamic fragilities
- Joback Method
- McGowan Method
- NIST Webbook
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property mean.
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