Chemical Properties of cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, diacetate

InChI

InChI=1S/C20H20O5/c1-12(21)24-19-16-10-9-14(23-4)11-17(16)15-7-5-6-8-18(15)20(19,3)25-13(2)22/h5-11,19H,1-4H3/t19-,20+/m1/s1

InChI Key

VDRBUVUVJAQGAK-UXHICEINSA-N

Formula

C20H20O5

SMILES

COc1ccc2c(c1)-c1ccccc1C(C)(OC(C)=O)C2OC(C)=O

Molecular Weight¹

340.37

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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
ω	0.7466		Relay (... Calculated Property
ΔfG°	-199.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-739.46	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.24	kJ/mol	Joback Calculated Property
ΔvapH°	119.44	kJ/mol	Relay (... Calculated Property
IE	7.68	eV	Relay (... Calculated Property
log10WS	-4.07		Relay (... Calculated Property
logPoct/wat	3.758		Crippen Calculated Property
McVol	255.030	ml/mol	McGowan Calculated Property
Pc	1843.58	kPa	Joback Calculated Property
Inp	[2630.00; 2630.00]
Inp	2630.00		NIST
Inp	2630.00		NIST
Tboil	666.39	K	Relay (... Calculated Property
Tc	941.70	K	Relay (... Calculated Property
Tfus	373.31	K	Relay (... Calculated Property
Vc	0.927	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[788.03; 885.09]	J/mol×K	[898.34; 1132.88]
Cp,gas	788.03	J/mol×K	898.34	Joback Calculated Property
Cp,gas	804.61	J/mol×K	937.43	Joback Calculated Property
Cp,gas	820.83	J/mol×K	976.52	Joback Calculated Property
Cp,gas	836.84	J/mol×K	1015.61	Joback Calculated Property
Cp,gas	852.78	J/mol×K	1054.70	Joback Calculated Property
Cp,gas	868.81	J/mol×K	1093.79	Joback Calculated Property
Cp,gas	885.09	J/mol×K	1132.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Phenanthrene, 9,10-dihydro-9-methyl-9,10-diol, 3-methoxy, diacetate.

Sources

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

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