Chemical Properties of Sebacic acid, heptyl 5-methoxy-3-phenylpentyl ester

InChI

InChI=1S/C29H48O5/c1-3-4-5-10-16-23-33-28(30)19-14-8-6-7-9-15-20-29(31)34-25-22-27(21-24-32-2)26-17-12-11-13-18-26/h11-13,17-18,27H,3-10,14-16,19-25H2,1-2H3

InChI Key

PVUQETBHMVLULK-UHFFFAOYSA-N

Formula

C29H48O5

SMILES

CCCCCCCOC(=O)CCCCCCCCC(=O)OCCC(CCOC)c1ccccc1

Molecular Weight¹

476.69

• ω : Acentric Factor.
• 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).
• 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	1.2529		Relay (1.0) Calculated Property
ΔfG°	-269.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1114.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.15	kJ/mol	Joback Calculated Property
ΔvapH°	132.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	7.374		Crippen Calculated Property
McVol	416.460	ml/mol	McGowan Calculated Property
Pc	776.77	kPa	Joback Calculated Property
Inp	[3387.00; 3387.00]
Inp	3387.00		NIST
Inp	3387.00		NIST
Tboil	713.46	K	Relay (1.0) Calculated Property
Tc	902.34	K	Relay (1.0) Calculated Property
Tfus	309.80	K	Relay (1.0) Calculated Property
Vc	1.536	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1462.49; 1536.27]	J/mol×K	[1064.16; 1314.18]
Cp,gas	1462.49	J/mol×K	1064.16	Joback Calculated Property
Cp,gas	1480.02	J/mol×K	1105.83	Joback Calculated Property
Cp,gas	1495.35	J/mol×K	1147.50	Joback Calculated Property
Cp,gas	1508.57	J/mol×K	1189.17	Joback Calculated Property
Cp,gas	1519.74	J/mol×K	1230.84	Joback Calculated Property
Cp,gas	1528.95	J/mol×K	1272.51	Joback Calculated Property
Cp,gas	1536.27	J/mol×K	1314.18	Joback Calculated Property
η	[0.0000092; 0.0001760]	Pa×s	[594.56; 1064.16]
η	0.0001760	Pa×s	594.56	Joback Calculated Property
η	0.0000809	Pa×s	672.83	Joback Calculated Property
η	0.0000437	Pa×s	751.09	Joback Calculated Property
η	0.0000266	Pa×s	829.36	Joback Calculated Property
η	0.0000176	Pa×s	907.63	Joback Calculated Property
η	0.0000124	Pa×s	985.89	Joback Calculated Property
η	0.0000092	Pa×s	1064.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, heptyl 5-methoxy-3-phenylpentyl ester.

Sources

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

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