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

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+/m1/s1

InChI Key

VGXUJWDOBIUFTF-BBBLOLIVSA-N

Formula

C12H16O

SMILES

CC1OC(C)C(C)c2ccccc21

Molecular Weight¹

176.25

• 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.
• 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

Property	Value	Unit	Source
ΔfG°	100.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.99	kJ/mol	Joback Calculated Property
ΔfusH°	26.64	kJ/mol	Joback Calculated Property
ΔvapH°	49.22	kJ/mol	Joback Calculated Property
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	3.270		Crippen Calculated Property
McVol	151.190	ml/mol	McGowan Calculated Property
Pc	2566.29	kPa	Joback Calculated Property
Inp	[1288.00; 1288.00]
Inp	1288.00		NIST
Inp	1288.00		NIST
I	1705.30		NIST
Tboil	534.24	K	Joback Calculated Property
Tc	756.37	K	Joback Calculated Property
Tfus	296.45	K	Joback Calculated Property
Vc	0.568	m3/kmol	Joback Calculated Property

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, 4a'.

Sources

• 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.