![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
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.8670 | Relay (1.0) Calculated Property | |
| ΔfG° | -261.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -974.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) 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 |
| Pc | 2102.27 | kPa | Joback 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 | |
| Tboil | 552.67 | K | Relay (1.0) Calculated Property |
| Tc | 759.32 | K | Relay (1.0) Calculated Property |
| Tfus | 339.37 | 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 |
| Vc | 0.775 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.09; 713.26] | J/mol×K | [745.57; 943.87] |
|
| Cp,gas | 641.09 | J/mol×K | 745.57 | Joback Calculated Property |
| Cp,gas | 655.29 | J/mol×K | 778.62 | Joback Calculated Property |
| Cp,gas | 668.59 | J/mol×K | 811.67 | Joback Calculated Property |
| Cp,gas | 681.02 | J/mol×K | 844.72 | Joback Calculated Property |
| Cp,gas | 692.60 | J/mol×K | 877.77 | Joback Calculated Property |
| Cp,gas | 703.34 | J/mol×K | 910.82 | Joback Calculated Property |
| Cp,gas | 713.26 | J/mol×K | 943.87 | Joback Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- 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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.