Chemical Properties of (Z)-3-(Heptadec-10-en-1-yl)phenol (CAS 111047-33-7)

InChI

InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h7-8,17,19-21,24H,2-6,9-16,18H2,1H3/b8-7-

InChI Key

BIEZSEGUHJMPKG-FPLPWBNLSA-N

Formula

C23H38O

SMILES

CCCCCCC=CCCCCCCCCCc1cccc(O)c1

Molecular Weight¹

330.55

CAS

111047-33-7

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.0090		Relay (1.0) Calculated Property
ΔfH°gas	-391.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.35	kJ/mol	Joback Calculated Property
ΔvapH°	132.34	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-7.33		Relay (1.0) Calculated Property
logPoct/wat	7.582		Crippen Calculated Property
McVol	312.740	ml/mol	McGowan Calculated Property
Pc	1194.00	kPa	Joback Calculated Property
Inp	[2703.50; 2703.50]
Inp	2703.50		NIST
Inp	2703.50		NIST
Tboil	651.26	K	Relay (1.0) Calculated Property
Tc	865.65	K	Relay (1.0) Calculated Property
Tfus	320.44	K	Relay (1.0) Calculated Property
Vc	1.149	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[991.85; 1096.60]	J/mol×K	[837.10; 1035.72]
Cp,gas	991.85	J/mol×K	837.10	Joback Calculated Property
Cp,gas	1011.03	J/mol×K	870.20	Joback Calculated Property
Cp,gas	1029.38	J/mol×K	903.31	Joback Calculated Property
Cp,gas	1047.01	J/mol×K	936.41	Joback Calculated Property
Cp,gas	1064.03	J/mol×K	969.51	Joback Calculated Property
Cp,gas	1080.52	J/mol×K	1002.62	Joback Calculated Property
Cp,gas	1096.60	J/mol×K	1035.72	Joback Calculated Property
η	[0.0000030; 0.0002440]	Pa×s	[482.03; 837.10]
η	0.0002440	Pa×s	482.03	Joback Calculated Property
η	0.0000785	Pa×s	541.21	Joback Calculated Property
η	0.0000316	Pa×s	600.39	Joback Calculated Property
η	0.0000150	Pa×s	659.56	Joback Calculated Property
η	0.0000080	Pa×s	718.74	Joback Calculated Property
η	0.0000047	Pa×s	777.92	Joback Calculated Property
η	0.0000030	Pa×s	837.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-(Heptadec-10-en-1-yl)phenol.

Sources

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

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