Chemical Properties of 3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, methyl ester

InChI

InChI=1S/C19H28O4/c1-14(19(20)22-3)11-16-9-10-17(18(12-16)21-2)23-13-15-7-5-4-6-8-15/h9-10,12,14-15H,4-8,11,13H2,1-3H3

InChI Key

MTLSNKDBKZHSKU-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

COC(=O)C(C)Cc1ccc(OCC2CCCCC2)c(OC)c1

Molecular Weight¹

320.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-219.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-682.10	kJ/mol	Joback Calculated Property
ΔfusH°	31.70	kJ/mol	Joback Calculated Property
ΔvapH°	75.50	kJ/mol	Joback Calculated Property
log10WS	-4.56		Crippen Calculated Property
logPoct/wat	4.006		Crippen Calculated Property
McVol	263.130	ml/mol	McGowan Calculated Property
Pc	1579.71	kPa	Joback Calculated Property
Inp	[2272.10; 2272.10]
Inp	2272.10		NIST
Inp	2272.10		NIST
Tboil	811.00	K	Joback Calculated Property
Tc	1028.38	K	Joback Calculated Property
Tfus	464.35	K	Joback Calculated Property
Vc	0.979	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[824.15; 913.75]	J/mol×K	[811.00; 1028.38]
Cp,gas	824.15	J/mol×K	811.00	Joback Calculated Property
Cp,gas	842.82	J/mol×K	847.23	Joback Calculated Property
Cp,gas	859.98	J/mol×K	883.46	Joback Calculated Property
Cp,gas	875.65	J/mol×K	919.69	Joback Calculated Property
Cp,gas	889.83	J/mol×K	955.92	Joback Calculated Property
Cp,gas	902.53	J/mol×K	992.15	Joback Calculated Property
Cp,gas	913.75	J/mol×K	1028.38	Joback Calculated Property
η	[0.0000473; 0.0006256]	Pa×s	[464.35; 811.00]
η	0.0006256	Pa×s	464.35	Joback Calculated Property
η	0.0003206	Pa×s	522.12	Joback Calculated Property
η	0.0001877	Pa×s	579.90	Joback Calculated Property
η	0.0001211	Pa×s	637.67	Joback Calculated Property
η	0.0000841	Pa×s	695.45	Joback Calculated Property
η	0.0000617	Pa×s	753.22	Joback Calculated Property
η	0.0000473	Pa×s	811.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(3-Methoxy-4-cyclohexylmethoxy-phenyl)-2-methyl-propionic acid, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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