Chemical Properties of Oxepine, 2,7-dimethyl- (CAS 1487-99-6)

InChI

InChI=1S/C8H10O/c1-7-5-3-4-6-8(2)9-7/h3-6H,1-2H3

InChI Key

SFVUIUUSVAMYPP-UHFFFAOYSA-N

Formula

C8H10O

SMILES

CC1=CC=CC=C(C)O1

Molecular Weight¹

122.16

CAS

1487-99-6

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.01	kJ/mol	Joback Calculated Property
logPoct/wat	2.380		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Inp	[916.70; 954.00]
Inp	916.70		NIST
Inp	916.70		NIST
Inp	934.00		NIST
Inp	954.00		NIST
Inp	934.00		NIST
Inp	916.70		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[202.73; 269.84]	J/mol×K	[445.52; 664.91]
Cp,gas	202.73	J/mol×K	445.52	Joback Calculated Property
Cp,gas	215.54	J/mol×K	482.09	Joback Calculated Property
Cp,gas	227.67	J/mol×K	518.65	Joback Calculated Property
Cp,gas	239.16	J/mol×K	555.22	Joback Calculated Property
Cp,gas	250.01	J/mol×K	591.78	Joback Calculated Property
Cp,gas	260.23	J/mol×K	628.35	Joback Calculated Property
Cp,gas	269.84	J/mol×K	664.91	Joback Calculated Property
η	[0.0002169; 0.0035946]	Pa×s	[241.91; 445.52]
η	0.0035946	Pa×s	241.91	Joback Calculated Property
η	0.0016882	Pa×s	275.85	Joback Calculated Property
η	0.0009356	Pa×s	309.78	Joback Calculated Property
η	0.0005827	Pa×s	343.72	Joback Calculated Property
η	0.0003951	Pa×s	377.65	Joback Calculated Property
η	0.0002856	Pa×s	411.59	Joback Calculated Property
η	0.0002169	Pa×s	445.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Oxepine, 2,7-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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