Chemical Properties of (3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate (CAS 143615-75-2)

InChI

InChI=1S/C21H32O6/c1-5-6-7-8-18(26-15(2)22)14-19(27-16(3)23)11-9-17-10-12-20(24)21(13-17)25-4/h10,12-13,18-19,24H,5-9,11,14H2,1-4H3

InChI Key

PXBFKEHWQRAQQD-UHFFFAOYSA-N

Formula

C21H32O6

SMILES

CCCCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O

Molecular Weight¹

380.48

CAS

143615-75-2

• 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°	-503.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-1061.40	kJ/mol	Joback Calculated Property
ΔfusH°	49.30	kJ/mol	Joback Calculated Property
ΔvapH°	98.24	kJ/mol	Joback Calculated Property
log10WS	-4.91		Crippen Calculated Property
logPoct/wat	4.167		Crippen Calculated Property
McVol	309.610	ml/mol	McGowan Calculated Property
Pc	1394.37	kPa	Joback Calculated Property
Inp	[2536.10; 2536.10]
Inp	2536.10		NIST
Inp	2536.10		NIST
Tboil	966.28	K	Joback Calculated Property
Tc	1185.69	K	Joback Calculated Property
Tfus	613.64	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1024.32; 1099.20]	J/mol×K	[966.28; 1185.69]
Cp,gas	1024.32	J/mol×K	966.28	Joback Calculated Property
Cp,gas	1039.34	J/mol×K	1002.85	Joback Calculated Property
Cp,gas	1053.26	J/mol×K	1039.42	Joback Calculated Property
Cp,gas	1066.16	J/mol×K	1075.99	Joback Calculated Property
Cp,gas	1078.08	J/mol×K	1112.56	Joback Calculated Property
Cp,gas	1089.07	J/mol×K	1149.13	Joback Calculated Property
Cp,gas	1099.20	J/mol×K	1185.69	Joback Calculated Property
η	[0.0000010; 0.0000310]	Pa×s	[613.64; 966.28]
η	0.0000310	Pa×s	613.64	Joback Calculated Property
η	0.0000137	Pa×s	672.41	Joback Calculated Property
η	0.0000069	Pa×s	731.19	Joback Calculated Property
η	0.0000039	Pa×s	789.96	Joback Calculated Property
η	0.0000023	Pa×s	848.73	Joback Calculated Property
η	0.0000015	Pa×s	907.51	Joback Calculated Property
η	0.0000010	Pa×s	966.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to (3R,5S)-1-(4-Hydroxy-3-methoxyphenyl)decane-3,5-diyl diacetate.

Sources

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

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