Chemical Properties of 3,5-Octanedione, 2,7-dimethyl- (CAS 7307-07-5)

InChI

InChI=1S/C10H18O2/c1-7(2)5-9(11)6-10(12)8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

QVXCBARKVVWYOM-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CC(C)CC(=O)CC(=O)C(C)C

Molecular Weight¹

170.25

CAS

7307-07-5

Other Names

• 2,7-Dimethyloctane-3,5-dione

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4869		Relay (1.0) Calculated Property
ΔfH°gas	-518.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.81	kJ/mol	Joback Calculated Property
ΔvapH°	52.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	2.217		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2412.37	kPa	Joback Calculated Property
Inp	[1165.20; 1165.20]
Inp	1165.20		NIST
Inp	1165.20		NIST
Tboil	471.78	K	Relay (1.0) Calculated Property
Tc	671.85	K	Relay (1.0) Calculated Property
Tfus	308.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[365.52; 441.21]	J/mol×K	[535.26; 724.61]
Cp,gas	365.52	J/mol×K	535.26	Joback Calculated Property
Cp,gas	379.76	J/mol×K	566.82	Joback Calculated Property
Cp,gas	393.33	J/mol×K	598.38	Joback Calculated Property
Cp,gas	406.25	J/mol×K	629.94	Joback Calculated Property
Cp,gas	418.52	J/mol×K	661.49	Joback Calculated Property
Cp,gas	430.17	J/mol×K	693.05	Joback Calculated Property
Cp,gas	441.21	J/mol×K	724.61	Joback Calculated Property
η	[0.0002575; 0.0068659]	Pa×s	[272.32; 535.26]
η	0.0068659	Pa×s	272.32	Joback Calculated Property
η	0.0027186	Pa×s	316.14	Joback Calculated Property
η	0.0013488	Pa×s	359.97	Joback Calculated Property
η	0.0007792	Pa×s	403.79	Joback Calculated Property
η	0.0005012	Pa×s	447.61	Joback Calculated Property
η	0.0003487	Pa×s	491.44	Joback Calculated Property
η	0.0002575	Pa×s	535.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Octanedione, 2,7-dimethyl-.

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.
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