Chemical Properties of Phthalic acid, heptadecyl 6-methylhept-2-yl ester

InChI

InChI=1S/C33H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-36-32(34)30-25-19-20-26-31(30)33(35)37-29(4)24-22-23-28(2)3/h19-20,25-26,28-29H,5-18,21-24,27H2,1-4H3

InChI Key

XYHZWRROXCYKAY-UHFFFAOYSA-N

Formula

C33H56O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(C)CCCC(C)C

Molecular Weight¹

516.81

• 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).
• 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	1.3923		Relay (1.0) Calculated Property
ΔfH°gas	-1124.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	76.57	kJ/mol	Joback Calculated Property
ΔvapH°	141.02	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.15		Relay (1.0) Calculated Property
logPoct/wat	10.086		Crippen Calculated Property
McVol	466.950	ml/mol	McGowan Calculated Property
Pc	611.47	kPa	Joback Calculated Property
Inp	[3515.00; 3515.00]
Inp	3515.00		NIST
Inp	3515.00		NIST
Tboil	711.75	K	Relay (1.0) Calculated Property
Tc	917.74	K	Relay (1.0) Calculated Property
Tfus	283.03	K	Relay (1.0) Calculated Property
Vc	1.761	m3/kmol	Relay (1.0) Calculated Property

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1670.94; 1750.02]	J/mol×K	[1101.86; 1374.61]
Cp,gas	1670.94	J/mol×K	1101.86	Joback Calculated Property
Cp,gas	1690.17	J/mol×K	1147.32	Joback Calculated Property
Cp,gas	1706.78	J/mol×K	1192.78	Joback Calculated Property
Cp,gas	1720.92	J/mol×K	1238.24	Joback Calculated Property
Cp,gas	1732.73	J/mol×K	1283.69	Joback Calculated Property
Cp,gas	1742.39	J/mol×K	1329.15	Joback Calculated Property
Cp,gas	1750.02	J/mol×K	1374.61	Joback Calculated Property
η	[0.0000046; 0.0002054]	Pa×s	[555.27; 1101.86]
η	0.0002054	Pa×s	555.27	Joback Calculated Property
η	0.0000698	Pa×s	646.37	Joback Calculated Property
η	0.0000309	Pa×s	737.47	Joback Calculated Property
η	0.0000164	Pa×s	828.56	Joback Calculated Property
η	0.0000099	Pa×s	919.66	Joback Calculated Property
η	0.0000065	Pa×s	1010.76	Joback Calculated Property
η	0.0000046	Pa×s	1101.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, heptadecyl 6-methylhept-2-yl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.