Chemical Properties of 1,3,4-trimethyl-isochroman, 1e',3e, 4e'

InChI

InChI=1S/C12H16O/c1-8-9(2)13-10(3)12-7-5-4-6-11(8)12/h4-10H,1-3H3/t8-,9+,10-/m0/s1

InChI Key

VGXUJWDOBIUFTF-AEJSXWLSSA-N

Formula

C12H16O

SMILES

CC1OC(C)C(C)c2ccccc21

Molecular Weight¹

176.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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.
• I : 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[366.44; 462.86]	J/mol×K	[534.24; 756.37]
Cp,gas	366.44	J/mol×K	534.24	Joback Calculated Property
Cp,gas	385.17	J/mol×K	571.26	Joback Calculated Property
Cp,gas	402.78	J/mol×K	608.28	Joback Calculated Property
Cp,gas	419.31	J/mol×K	645.31	Joback Calculated Property
Cp,gas	434.81	J/mol×K	682.33	Joback Calculated Property
Cp,gas	449.31	J/mol×K	719.35	Joback Calculated Property
Cp,gas	462.86	J/mol×K	756.37	Joback Calculated Property
η	[0.0004192; 0.0015056]	Pa×s	[296.45; 534.24]
η	0.0015056	Pa×s	296.45	Joback Calculated Property
η	0.0010730	Pa×s	336.08	Joback Calculated Property
η	0.0008213	Pa×s	375.71	Joback Calculated Property
η	0.0006616	Pa×s	415.35	Joback Calculated Property
η	0.0005534	Pa×s	454.98	Joback Calculated Property
η	0.0004763	Pa×s	494.61	Joback Calculated Property
η	0.0004192	Pa×s	534.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,4-trimethyl-isochroman, 1e',3e, 4e'.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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