Chemical Properties of 2-Heptanol, 6-methyl, acetate (CAS 67952-57-2)

InChI

InChI=1S/C10H20O2/c1-8(2)6-5-7-9(3)12-10(4)11/h8-9H,5-7H2,1-4H3

InChI Key

JNRDWRMJYGDQQE-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CC(=O)OC(C)CCCC(C)C

Molecular Weight¹

172.26

CAS

67952-57-2

Other Names

• 1,5-dimethylhexyl acetate

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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

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	[362.06; 444.01]	J/mol×K	[485.74; 662.16]
Cp,gas	362.06	J/mol×K	485.74	Joback Calculated Property
Cp,gas	377.23	J/mol×K	515.14	Joback Calculated Property
Cp,gas	391.78	J/mol×K	544.55	Joback Calculated Property
Cp,gas	405.73	J/mol×K	573.95	Joback Calculated Property
Cp,gas	419.08	J/mol×K	603.35	Joback Calculated Property
Cp,gas	431.83	J/mol×K	632.75	Joback Calculated Property
Cp,gas	444.01	J/mol×K	662.16	Joback Calculated Property
η	[0.0001874; 0.0162083]	Pa×s	[214.79; 485.74]
η	0.0162083	Pa×s	214.79	Joback Calculated Property
η	0.0040410	Pa×s	259.95	Joback Calculated Property
η	0.0015199	Pa×s	305.11	Joback Calculated Property
η	0.0007356	Pa×s	350.26	Joback Calculated Property
η	0.0004202	Pa×s	395.42	Joback Calculated Property
η	0.0002692	Pa×s	440.58	Joback Calculated Property
η	0.0001874	Pa×s	485.74	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[347.22; 508.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39901e+01
Coefficient B			-3.81132e+03
Coefficient C			-6.90720e+01
Temperature range, min.			347.22
Temperature range, max.			508.24
Pvap	1.33	kPa	347.22	Calculated Property
Pvap	3.05	kPa	365.11	Calculated Property
Pvap	6.36	kPa	383.00	Calculated Property
Pvap	12.23	kPa	400.89	Calculated Property
Pvap	22.01	kPa	418.78	Calculated Property
Pvap	37.41	kPa	436.68	Calculated Property
Pvap	60.54	kPa	454.57	Calculated Property
Pvap	93.86	kPa	472.46	Calculated Property
Pvap	140.19	kPa	490.35	Calculated Property
Pvap	202.67	kPa	508.24	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptanol, 6-methyl, acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.