Chemical Properties of MPMC

InChI

InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)

InChI Key

WCJYTPVNMWIZCG-UHFFFAOYSA-N

Formula

C10H13NO2

SMILES

CNC(=O)Oc1ccc(C)c(C)c1

Molecular Weight¹

179.22

Other Names

• 3,4-Dimethylphenyl N-methylcarbamate
• 3,4-Dimethylphenyl methylcarbamate
• 3,4-Xylyl N-methylcarbamate
• 3,4-Xylyl methylcarbamate
• 3,4-Xylylester kyseliny methylkarbaminove
• Carbamic acid, 3,4-dimethylphenyl ester, N-methyl
• Carbamic acid, N-methyl-, (3,4-dimethylphenyl) ester
• Carbamic acid, methyl-, 3,4-xylyl ester
• Meobal
• Methylcarbamic acid 3,4-xylyl ester
• Phenol, 3,4-dimethyl-, 1-(N-methylcarbamate)
• S-1042
• V 17004
• Xylecarb
• Xylylcarb

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• I_p : 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
ΔfusH°	24.39	kJ/mol	Joback Calculated Property
log10WS	-2.78		Relay (1.0) Calculated Property
logPoct/wat	2.022		Crippen Calculated Property
McVol	145.420	ml/mol	McGowan Calculated Property
Inp	[1536.00; 1543.00]
Inp	1536.00		NIST
Inp	1543.00		NIST
Ip	[2132.00; 2132.00]
Ip	2132.00		NIST
Ip	2132.00		NIST
Tboil	536.35	K	Relay (1.0) Calculated Property
Tfus	[351.37; 352.65]	K
Tfus	352.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	351.37 ± 0.20	K	NIST

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[24.97; 24.97]	kJ/mol	[350.80; 350.80]
ΔfusH	24.97	kJ/mol	350.80	NIST
ΔfusH	24.97	kJ/mol	350.80	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.99; 455.63]	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			1.26900e+01
Coefficient B			7.77360e-01
Coefficient C			-3.71320e-04
Coefficient D			3.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.99	J/mol×K	273.00	Calculated Property
Cp,gas	242.86	J/mol×K	353.78	Calculated Property
Cp,gas	283.40	J/mol×K	434.56	Calculated Property
Cp,gas	319.73	J/mol×K	515.33	Calculated Property
Cp,gas	351.95	J/mol×K	596.11	Calculated Property
Cp,gas	380.19	J/mol×K	676.89	Calculated Property
Cp,gas	404.56	J/mol×K	757.67	Calculated Property
Cp,gas	425.18	J/mol×K	838.44	Calculated Property
Cp,gas	442.16	J/mol×K	919.22	Calculated Property
Cp,gas	455.63	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to MPMC.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.