Chemical Properties of Phenol, 3-methyl-5-(1-methylethyl)-, methylcarbamate (CAS 2631-37-0)

InChI

InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)

InChI Key

DTAPQAJKAFRNJB-UHFFFAOYSA-N

Formula

C12H16NO2

SMILES

CNC(=O)Oc1cc(C)cc(C(C)C)c1

Molecular Weight¹

206.26

CAS

2631-37-0

Other Names

• Carbamic acid, methyl-, m-cym-5-yl ester
• Carbamult
• m-Cym-5-yl methylcarbamate
• EP 316
• 3-Isopropyl-5-Methylphenyl methylcarbamate
• 3-Isopropyl-5-methylphenyl N-methylcarbamate
• ITC
• 3-Methyl-5-Isopropylphenyl methylcarbamate
• 3-Methyl-5-isopropylphenyl N-methylcarbamate
• Minacide
• Morton EP-316
• Promecarb
• Sch 34615
• Schering 34615
• Carbamic acid, N-methyl-, 3-methyl-5-isopropylphenyl ester
• ENT 27,300-a
• OMS 716
• Promecarbe
• Sn-316
• SN 34615
• UC 9880
• NSC 35378
• 5-Isopropyl-m-tolyl methylcarbamate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-397.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.04	kJ/mol	Joback Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	2.837		Crippen Calculated Property
McVol	173.600	ml/mol	McGowan Calculated Property
Inp	[1689.00; 1695.00]
Inp	1689.00		NIST
Inp	1695.00		NIST
Inp	1689.00		NIST
Tboil	544.05	K	Relay (1.0) Calculated Property
Tfus	362.48 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.10; 559.35]	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			9.19000e+00
Coefficient B			9.73280e-01
Coefficient C			-4.83320e-04
Coefficient D			6.02000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.10	J/mol×K	273.00	Calculated Property
Cp,gas	295.69	J/mol×K	353.78	Calculated Property
Cp,gas	345.80	J/mol×K	434.56	Calculated Property
Cp,gas	390.64	J/mol×K	515.33	Calculated Property
Cp,gas	430.38	J/mol×K	596.11	Calculated Property
Cp,gas	465.22	J/mol×K	676.89	Calculated Property
Cp,gas	495.34	J/mol×K	757.67	Calculated Property
Cp,gas	520.95	J/mol×K	838.44	Calculated Property
Cp,gas	542.22	J/mol×K	919.22	Calculated Property
Cp,gas	559.35	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3-methyl-5-(1-methylethyl)-, methylcarbamate.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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