Chemical Properties of Schkuhrianol (CAS 63543-07-7)

InChI

InChI=1S/C29H50O6/c1-5-6-7-11-15-23(2)16-12-9-8-10-13-18-25(30)22-28(32)35-19-14-17-24-20-26(31)29(34-4)27(21-24)33-3/h20-21,23,25,30-31H,5-19,22H2,1-4H3

InChI Key

YVAXZNKKSLAKDG-UHFFFAOYSA-N

Formula

C29H50O6

SMILES

CCCCCCC(C)CCCCCCCC(O)CC(=O)OCCCc1cc(O)c(OC)c(OC)c1

Molecular Weight¹

494.70

CAS

63543-07-7

• 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°	-453.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-1277.64	kJ/mol	Joback Calculated Property
ΔfusH°	72.12	kJ/mol	Joback Calculated Property
ΔvapH°	126.64	kJ/mol	Joback Calculated Property
log10WS	-8.01		Crippen Calculated Property
logPoct/wat	6.973		Crippen Calculated Property
McVol	426.630	ml/mol	McGowan Calculated Property
Pc	849.00	kPa	Joback Calculated Property
Inp	[3680.90; 3680.90]
Inp	3680.90		NIST
Inp	3680.90		NIST
Tboil	1192.61	K	Joback Calculated Property
Tc	1513.12	K	Joback Calculated Property
Tfus	727.21	K	Joback Calculated Property
Vc	1.585	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1573.08; 1672.53]	J/mol×K	[1192.61; 1513.12]
Cp,gas	1573.08	J/mol×K	1192.61	Joback Calculated Property
Cp,gas	1593.84	J/mol×K	1246.03	Joback Calculated Property
Cp,gas	1612.59	J/mol×K	1299.45	Joback Calculated Property
Cp,gas	1629.58	J/mol×K	1352.87	Joback Calculated Property
Cp,gas	1645.06	J/mol×K	1406.29	Joback Calculated Property
Cp,gas	1659.29	J/mol×K	1459.70	Joback Calculated Property
Cp,gas	1672.53	J/mol×K	1513.12	Joback Calculated Property
η	[2.0533134e-08; 0.0000014]	Pa×s	[727.21; 1192.61]
η	0.0000014	Pa×s	727.21	Joback Calculated Property
η	0.0000005	Pa×s	804.78	Joback Calculated Property
η	0.0000002	Pa×s	882.34	Joback Calculated Property
η	0.0000001	Pa×s	959.91	Joback Calculated Property
η	5.5234925e-08	Pa×s	1037.48	Joback Calculated Property
η	3.2537688e-08	Pa×s	1115.04	Joback Calculated Property
η	2.0533134e-08	Pa×s	1192.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Schkuhrianol.

Sources

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

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