Chemical Properties of Pinchotene acetate

InChI

InChI=1S/C12H16O3/c1-8-6-5-7-11(14-4)12(8)9(2)15-10(3)13/h5-7,9H,1-4H3

InChI Key

TYUGBSLUYRGYKC-UHFFFAOYSA-N

Formula

C12H16O3

SMILES

COc1cccc(C)c1C(C)OC(C)=O

Molecular Weight¹

208.25

• 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.
• 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°	-198.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.72	kJ/mol	Joback Calculated Property
ΔfusH°	20.55	kJ/mol	Joback Calculated Property
ΔvapH°	57.08	kJ/mol	Joback Calculated Property
log10WS	-3.03		Crippen Calculated Property
logPoct/wat	2.628		Crippen Calculated Property
McVol	169.490	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Inp	[1470.00; 1470.00]
Inp	1470.00		NIST
Inp	1470.00		NIST
Tboil	608.87	K	Joback Calculated Property
Tc	818.83	K	Joback Calculated Property
Tfus	355.85	K	Joback Calculated Property
Vc	0.635	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.24; 496.34]	J/mol×K	[608.87; 818.83]
Cp,gas	419.24	J/mol×K	608.87	Joback Calculated Property
Cp,gas	434.01	J/mol×K	643.86	Joback Calculated Property
Cp,gas	448.01	J/mol×K	678.86	Joback Calculated Property
Cp,gas	461.25	J/mol×K	713.85	Joback Calculated Property
Cp,gas	473.72	J/mol×K	748.85	Joback Calculated Property
Cp,gas	485.41	J/mol×K	783.84	Joback Calculated Property
Cp,gas	496.34	J/mol×K	818.83	Joback Calculated Property
η	[0.0001331; 0.0012230]	Pa×s	[355.85; 608.87]
η	0.0012230	Pa×s	355.85	Joback Calculated Property
η	0.0006947	Pa×s	398.02	Joback Calculated Property
η	0.0004398	Pa×s	440.19	Joback Calculated Property
η	0.0003016	Pa×s	482.36	Joback Calculated Property
η	0.0002198	Pa×s	524.53	Joback Calculated Property
η	0.0001678	Pa×s	566.70	Joback Calculated Property
η	0.0001331	Pa×s	608.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pinchotene acetate.

Sources

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

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