Chemical Properties of Hexestrol, O-acetyl-

InChI

InChI=1S/C20H24O3/c1-4-19(15-6-10-17(22)11-7-15)20(5-2)16-8-12-18(13-9-16)23-14(3)21/h6-13,19-20,22H,4-5H2,1-3H3

InChI Key

POZGCPKJFGPFIS-UHFFFAOYSA-N

Formula

C20H24O3

SMILES

CCC(c1ccc(O)cc1)C(CC)c1ccc(OC(C)=O)cc1

Molecular Weight¹

312.40

• 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°	-60.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-427.21	kJ/mol	Joback Calculated Property
ΔfusH°	36.77	kJ/mol	Joback Calculated Property
ΔvapH°	86.72	kJ/mol	Joback Calculated Property
log10WS	-5.35		Crippen Calculated Property
logPoct/wat	5.005		Crippen Calculated Property
McVol	258.450	ml/mol	McGowan Calculated Property
Pc	1923.67	kPa	Joback Calculated Property
Inp	[2446.00; 2446.00]
Inp	2446.00		NIST
Inp	2446.00		NIST
Tboil	871.37	K	Joback Calculated Property
Tc	1104.98	K	Joback Calculated Property
Tfus	534.40	K	Joback Calculated Property
Vc	0.917	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.86; 875.61]	J/mol×K	[871.37; 1104.98]
Cp,gas	793.86	J/mol×K	871.37	Joback Calculated Property
Cp,gas	809.50	J/mol×K	910.31	Joback Calculated Property
Cp,gas	824.18	J/mol×K	949.24	Joback Calculated Property
Cp,gas	838.02	J/mol×K	988.18	Joback Calculated Property
Cp,gas	851.13	J/mol×K	1027.11	Joback Calculated Property
Cp,gas	863.62	J/mol×K	1066.05	Joback Calculated Property
Cp,gas	875.61	J/mol×K	1104.98	Joback Calculated Property
η	[0.0000030; 0.0001247]	Pa×s	[534.40; 871.37]
η	0.0001247	Pa×s	534.40	Joback Calculated Property
η	0.0000497	Pa×s	590.56	Joback Calculated Property
η	0.0000233	Pa×s	646.72	Joback Calculated Property
η	0.0000123	Pa×s	702.88	Joback Calculated Property
η	0.0000071	Pa×s	759.05	Joback Calculated Property
η	0.0000045	Pa×s	815.21	Joback Calculated Property
η	0.0000030	Pa×s	871.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexestrol, O-acetyl-.

Sources

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

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